 Entering Gaussian System, Link 0=g16
 Input=31_naproxen_conformer03_STD_wB97XD_def2SVPD.in
 Output=31_naproxen_conformer03_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
            -H     0
            S    3   1.00
                 13.0107010              0.19682158D-01
                  1.9622572              0.13796524
                  0.44453796             0.47831935
            S    1   1.00
                  0.12194962             1.0000000
            P    1   1.00
                  0.8000000              1.0000000
            P    1   1.00
                  0.11704099050          1.0000000
            ****
            -He     0
            S    3   1.00
                 38.354936737            0.23814288905D-01
                  5.7689081479           0.15490906777
                  1.2399407035           0.46998096633
            S    1   1.00
                  0.29757815953          1.0000000
            P    1   1.00
                  1.0000000              1.0000000
            P    1   1.00
                  0.22039119441          1.0000000
            ****
            -Li     0
            S    5   1.00
                266.27785516             0.64920150325D-02
                 40.069783447            0.47747863215D-01
                  9.0559944389           0.20268796111
                  2.4503009051           0.48606574817
                  0.72209571855          0.43626977955
            S    1   1.00
                  0.52810884721D-01      1.0000000
            S    1   1.00
                  0.20960948798D-01      1.0000000
            P    2   1.00
                  1.4500000              0.2586000
                  0.3000000              1.0000000
            P    1   1.00
                  0.0820000              1.0000000
            P    1   1.00
                  0.26347662457D-01      1.0000000
            ****
            -Be     0
            S    5   1.00
                515.18616125             0.55615307983D-02
                 77.511037595            0.41190068062D-01
                 17.552481693            0.17913378108
                  4.8028940596           0.44736716455
                  1.4516214316           0.42009581920
            S    1   1.00
                  0.13281633620          1.0000000
            S    1   1.00
                  0.45837372213D-01      1.0000000
            P    3   1.00
                  3.6316917145          -0.29033998305D-01
                  0.71695694366         -0.16877854032
                  0.19541932860         -0.51403419628
            P    1   1.00
                  0.60515465890D-01      1.0000000
            P    1   1.00
                  0.30181880660D-01      1.0000000
            ****
            -B     0
            S    5   1.00
                839.31830086            -0.55929201074D-02
                126.26464843            -0.41565520771D-01
                 28.620600763           -0.18299816983
                  7.8793722710          -0.46540391866
                  2.4088857172          -0.44173884791
            S    1   1.00
                  0.25105109036          1.0000000
            S    1   1.00
                  0.83648866069D-01      1.0000000
            S    1   1.00
                  0.42351565332D-01      1.0000000
            P    3   1.00
                  6.0332223619          -0.35603672456D-01
                  1.2499157866          -0.19895775769
                  0.33871676350         -0.50850202618
            P    1   1.00
                  0.96415632351D-01      1.0000000
            D    1   1.00
                  0.5000000              1.0000000
            D    1   1.00
                  0.74392443101D-01      1.0000000
            ****
            -C     0
            S    5   1.00
               1238.4016938              0.54568832082D-02
                186.29004992             0.40638409211D-01
                 42.251176346            0.18025593888
                 11.676557932            0.46315121755
                  3.5930506482           0.44087173314
            S    1   1.00
                  0.40245147363          1.0000000
            S    1   1.00
                  0.13090182668          1.0000000
            S    1   1.00
                  0.67053540256D-01      1.0000000
            P    3   1.00
                  9.4680970621           0.38387871728D-01
                  2.0103545142           0.21117025112
                  0.54771004707          0.51328172114
            P    1   1.00
                  0.15268613795          1.0000000
            D    1   1.00
                  0.8000000              1.0000000
            D    1   1.00
                  0.11713185140          1.0000000
            ****
            -N     0
            S    5   1.00
               1712.8415853             -0.53934125305D-02
                257.64812677            -0.40221581118D-01
                 58.458245853           -0.17931144990
                 16.198367905           -0.46376317823
                  5.0052600809          -0.44171422662
            S    1   1.00
                  0.58731856571          1.0000000
            S    1   1.00
                  0.18764592253          1.0000000
            S    1   1.00
                  0.96171241529D-01      1.0000000
            P    3   1.00
                 13.571470233           -0.40072398852D-01
                  2.9257372874          -0.21807045028
                  0.79927750754         -0.51294466049
            P    1   1.00
                  0.21954348034          1.0000000
            D    1   1.00
                  1.0000000              1.0000000
            D    1   1.00
                  0.16697708112          1.0000000
            ****
            -O     0
            S    5   1.00
               2266.1767785             -0.53431809926D-02
                340.87010191            -0.39890039230D-01
                 77.363135167           -0.17853911985
                 21.479644940           -0.46427684959
                  6.6589433124          -0.44309745172
            S    1   1.00
                  0.80975975668          1.0000000
            S    1   1.00
                  0.25530772234          1.0000000
            S    1   1.00
                  0.76572453250D-01      1.0000000
            P    3   1.00
                 17.721504317            0.43394573193D-01
                  3.8635505440           0.23094120765
                  1.0480920883           0.51375311064
            P    1   1.00
                  0.27641544411          1.0000000
            P    1   1.00
                  0.69002276350D-01      1.0000000
            D    1   1.00
                  1.2000000              1.0000000
            D    1   1.00
                  0.17992024323          1.0000000
            ****
            -F     0
            S    5   1.00
               2894.8325990             -0.53408255515D-02
                435.41939120            -0.39904258866D-01
                 98.843328866           -0.17912768038
                 27.485198001           -0.46758090825
                  8.5405498171          -0.44653131020
            S    1   1.00
                  1.0654578038           1.0000000
            S    1   1.00
                  0.33247346748          1.0000000
            S    1   1.00
                  0.98097752264D-01      1.0000000
            P    3   1.00
                 22.696633924           -0.45212874436D-01
                  4.9872339257          -0.23754317067
                  1.3491613954          -0.51287353587
            P    1   1.00
                  0.34829881977          1.0000000
            P    1   1.00
                  0.83372148304D-01      1.0000000
            D    1   1.00
                  1.4000000              1.0000000
            D    1   1.00
                  0.22301361948          1.0000000
            ****
            -Ne     0
            S    5   1.00
               3598.9736625             -0.53259297003D-02
                541.32073112            -0.39817417969D-01
                122.90450062            -0.17914358188
                 34.216617022           -0.46893582977
                 10.650584124           -0.44782537577
            S    1   1.00
                  1.3545953960           1.0000000
            S    1   1.00
                  0.41919362639          1.0000000
            S    1   1.00
                  0.12055043545          1.0000000
            P    3   1.00
                 28.424053785           -0.46031944795D-01
                  6.2822510953          -0.23993183041
                  1.6978715079          -0.50871724964
            P    1   1.00
                  0.43300700172          1.0000000
            P    1   1.00
                  0.10141942051          1.0000000
            D    1   1.00
                  1.8880000              1.0000000
            D    1   1.00
                  0.28026803041          1.0000000
            ****
            -Na     0
            S    5   1.00
               4098.2003908             -0.58535911879D-02
                616.49374031            -0.43647161872D-01
                139.96644001            -0.19431465884
                 39.073441051           -0.48685065731
                 11.929847205           -0.41881705137
            S    3   1.00
                 20.659966030            0.85949689854D-01
                  1.9838860978          -0.56359144041
                  0.64836323942         -0.51954009048
            S    1   1.00
                  0.52443967404D-01      1.0000000
            S    1   1.00
                  0.28048160742D-01      1.0000000
            P    5   1.00
                 75.401862017            0.154353625324D-01
                 17.274818978            0.997382931840D-01
                  5.1842347425           0.312095939659
                  1.6601211973           0.492956748074
                  0.51232528958          0.324203983180
            P    1   1.00
                  0.0520000              1.0000000
            P    1   1.00
                  0.19853008514D-01      1.0000000
            D    1   1.00
                  0.1310000              1.0000000
            ****
            -Mg     0
            S    5   1.00
               4953.8339196             -0.57778967498D-02
                745.18044154            -0.43124761082D-01
                169.21604972            -0.19268216987
                 47.300672019           -0.48641439116
                 14.461336973           -0.42550894077
            S    3   1.00
                 24.768174789            0.87956969984D-01
                  2.4940945349          -0.55165058128
                  0.87807584533         -0.53443294833
            S    1   1.00
                  0.87212782497D-01      1.0000000
            S    1   1.00
                  0.33599293780D-01      1.0000000
            P    5   1.00
                 98.053010494           -0.14480564601D-01
                 22.586932277           -0.95495750787D-01
                  6.8391509842          -0.30787672651
                  2.2332843818          -0.49936292886
                  0.71606599387         -0.31503476213
            P    1   1.00
                  0.18914796195          1.0000000
            P    1   1.00
                  0.53768755187D-01      1.0000000
            P    1   1.00
                  0.23963578287D-01      1.0000000
            D    1   1.00
                  0.1010000              1.0000000
            ****
            -Al     0
            S    5   1.00
               5887.5727030              0.13483347987D-02
                885.61225996             0.10071576809D-01
                201.13604899             0.45132454056D-01
                 56.284974674            0.11461268043
                 17.229551243            0.10159608943
            S    3   1.00
                 29.340249922            0.69347454208D-01
                  3.0439630420          -0.42528117679
                  1.1285539518          -0.41449832210
            S    1   1.00
                  0.14234175160          1.0000000
            S    1   1.00
                  0.54400192313D-01      1.0000000
            S    1   1.00
                  0.32535359511D-01      1.0000000
            P    5   1.00
                145.11918809             0.63963373134D-02
                 33.717894833            0.44189359965D-01
                 10.369863083            0.15581575993
                  3.5135616036           0.28635286951
                  1.1980050273           0.22921423248
            P    1   1.00
                  0.26583005913          1.0000000
            P    1   1.00
                  0.71003361994D-01      1.0000000
            D    1   1.00
                  0.3000000              1.0000000
            D    1   1.00
                  0.53071685831D-01      1.0000000
            ****
            -Si     0
            S    5   1.00
               6903.7118686              0.13373962995D-02
               1038.4346419              0.99966546241D-02
                235.87581480             0.44910165101D-01
                 66.069385169            0.11463638540
                 20.247945761            0.10280063858
            S    3   1.00
                 34.353481730            0.70837285010D-01
                  3.6370788192          -0.43028836252
                  1.4002048599          -0.41382774969
            S    1   1.00
                  0.20484414805          1.0000000
            S    1   1.00
                  0.77994095468D-01      1.0000000
            S    1   1.00
                  0.46834778282D-01      1.0000000
            P    5   1.00
                179.83907373             0.61916656462D-02
                 41.907258846            0.43399431982D-01
                 12.955294367            0.15632019351
                  4.4383267393           0.29419996982
                  1.5462247904           0.23536823814
            P    1   1.00
                  0.35607612302          1.0000000
            P    1   1.00
                  0.10008513762          1.0000000
            D    1   1.00
                  0.3500000              1.0000000
            D    1   1.00
                  0.74117707708D-01      1.0000000
            ****
            -P     0
            S    5   1.00
               8002.4795106              0.57503489302D-02
               1203.6813590              0.43007628959D-01
                273.44227031             0.19363986252
                 76.655541517            0.49651693399
                 23.516927435            0.44983262479
            S    3   1.00
                 39.791683439            0.95188129789D-01
                  4.2770343323          -0.57649840368
                  1.6940256888          -0.54239583865
            S    1   1.00
                  0.27567674644          1.0000000
            S    1   1.00
                  0.10495590099          1.0000000
            S    1   1.00
                  0.64309734755D-01      1.0000000
            P    5   1.00
                219.50755823             0.92100565257D-02
                 51.274155030            0.65409765745D-01
                 15.921595892            0.24033730279
                  5.5069913481           0.46318321788
                  1.9537719426           0.37392563382
            P    1   1.00
                  0.47803397932          1.0000000
            P    1   1.00
                  0.13657952621          1.0000000
            D    1   1.00
                  0.4500000              1.0000000
            D    1   1.00
                  0.99587311089D-01      1.0000000
            ****
            -S     0
            S    5   1.00
               9184.9303010             -0.22294387756D-02
               1381.5105503             -0.16683029937D-01
                313.87147580            -0.75262436116D-01
                 88.053870623           -0.19376827038
                 27.039914905           -0.17718020803
            S    3   1.00
                 45.648731303           -0.10736062573
                  4.9664522326           0.65066293018
                  2.0116242047           0.59712155354
            S    1   1.00
                  0.35661077013          1.0000000
            S    1   1.00
                  0.13507221477          1.0000000
            S    1   1.00
                  0.44999823506D-01      1.0000000
            P    5   1.00
                261.98233439            -0.92729929822D-02
                 61.306894736           -0.66547669241D-01
                 19.103729887           -0.24828595903
                  6.6567720378          -0.48703847402
                  2.3959635161          -0.39337850312
            P    1   1.00
                  0.61776161679          1.0000000
            P    1   1.00
                  0.16993376871          1.0000000
            P    1   1.00
                  0.41706793676D-01      1.0000000
            D    1   1.00
                  0.5500000              1.0000000
            D    1   1.00
                  0.10172853717          1.0000000
            ****
            -Cl     0
            S    5   1.00
              10449.8275660              0.19708362484D-02
               1571.7365221              0.14754727977D-01
                357.12065523             0.66679112875D-01
                100.25185935             0.17228924084
                 30.812727554            0.15883786100
            S    3   1.00
                 51.923789434           -0.10009298909
                  5.7045760975           0.60841752753
                  2.3508376809           0.54352153355
            S    1   1.00
                  0.44605124672          1.0000000
            S    1   1.00
                  0.16848856190          1.0000000
            S    1   1.00
                  0.55344229413D-01      1.0000000
            P    5   1.00
                307.66790569            -0.87801484118D-02
                 72.102015515           -0.63563355471D-01
                 22.532680262           -0.24016428276
                  7.8991765444          -0.47798866557
                  2.8767268321          -0.38515850005
            P    1   1.00
                  0.77459363955          1.0000000
            P    1   1.00
                  0.21037699698          1.0000000
            P    1   1.00
                  0.50046271086D-01      1.0000000
            D    1   1.00
                  0.6500000              1.0000000
            D    1   1.00
                  0.12284803390          1.0000000
            ****
            -Ar     0
            S    5   1.00
              11797.1197650              0.20214479973D-02
               1774.3522753              0.15139852688D-01
                403.18875733             0.68525400873D-01
                113.24933999             0.17762929207
                 34.835298193            0.16496495001
            S    3   1.00
                 58.614775042           -0.10343394000
                  6.4922045078           0.63133365899
                  2.7117014403           0.54887572301
            S    1   1.00
                  0.54412974538          1.0000000
            S    1   1.00
                  0.20517411136          1.0000000
            S    1   1.00
                  0.66442487045D-01      1.0000000
            P    5   1.00
                356.28707256            -0.87321783271D-02
                 83.593132866           -0.63680317444D-01
                 26.186704029           -0.24311906886
                  9.2257275925          -0.48956069653
                  3.3922754954          -0.39229190040
            P    1   1.00
                  0.94740534010          1.0000000
            P    1   1.00
                  0.25659135062          1.0000000
            P    1   1.00
                  0.59491455142D-01      1.0000000
            D    1   1.00
                  0.6960000              1.0000000
            D    1   1.00
                  0.14309493859          1.0000000
            ****
            -K     0
            S    6   1.00
              31478.7467640              0.39838653994D-02
               4726.8876066              0.30501759762D-01
               1075.4345353              0.15073752622
                303.39811023             0.51912939801
                 98.327112831            1.0366957005
                 33.636222177            0.76398963199
            S    3   1.00
                 65.639209962           -0.28242617106
                  7.3162592218           1.6914935860
                  2.8902580135           1.2965331953
            S    3   1.00
                  4.5459748965          -0.76343555273D-02
                  0.70404124062          0.25635718960D-01
                  0.28266888959          0.16606859208D-01
            S    1   1.00
                  0.29058164020D-01      1.0000000
            S    1   1.00
                  0.12111638157D-01      1.0000000
            P    5   1.00
                361.22492154             0.20906479823D-01
                 84.670222166            0.15043641740
                 26.469088236            0.55440061077
                  9.2658077615           1.0409009991
                  3.3423388293           0.67825341194
            P    3   1.00
                  1.5100876104           0.75248191146
                  0.56568375163          1.3708585031
                  0.20817008495          0.66047633079
            P    1   1.00
                  0.0417370              1.0000000
            P    1   1.00
                  0.16603217986D-01      1.0000000
            D    1   1.00
                  0.3530000              1.0000000
            D    1   1.00
                  0.0980000              1.0000000
            ****
            -Ca     0
            S    6   1.00
              35138.7139290              0.39482520740D-02
               5276.4111348              0.30234243552D-01
               1200.4692589              0.14952019681
                338.71810542             0.51597345713
                109.85385922             1.0339510296
                 37.608880299            0.76937933526
            S    3   1.00
                 73.107977555           -0.28268525011
                  8.2407705688           1.6796092142
                  3.2959812993           1.2803766016
            S    3   1.00
                  5.2341800914          -0.76868604561D-02
                  0.84187220515          0.25382375978D-01
                  0.36510294029          0.16512171511D-01
            S    1   1.00
                  0.51222402884D-01      1.0000000
            S    1   1.00
                  0.19825111408D-01      1.0000000
            P    5   1.00
                413.11313893             0.20327135354D-01
                 96.935786224            0.14730276362
                 30.372154659            0.54887167322
                 10.684776830            1.0440659818
                  3.8821258350           0.68653490684
            P    3   1.00
                  1.7993016295           0.75410246871
                  0.69189056530          1.3409296599
                  0.26364024096          0.56391989435
            P    1   1.00
                  0.0749790              1.0000000
            P    1   1.00
                  0.23809355789D-01      1.0000000
            D    3   1.00
                  5.4979093879           0.73770011433D-01
                  1.3177128032           0.26052853169
                  0.32188682649          0.45233836380
            D    1   1.00
                  0.70528614919D-01      1.0000000
            ****
            -Sc     0
            S    6   1.00
              38956.0818040              0.39293205858D-02
               5849.5733637              0.30093221229D-01
               1330.8813154              0.14890370950
                375.55534165             0.51464282906
                121.87261370             1.0337708070
                 41.760243729            0.77436851627
            S    3   1.00
                 81.060633953           -0.28318552316
                  9.2059823972           1.6770806984
                  3.7063215732           1.2594733678
            S    3   1.00
                  5.9888909988          -0.77821367493D-02
                  0.97363432378          0.25499692745D-01
                  0.42041019223          0.16191560820D-01
            S    1   1.00
                  0.59440551913D-01      1.0000000
            S    1   1.00
                  0.22897806303D-01      1.0000000
            P    5   1.00
                466.31481262             0.19984300385D-01
                109.51217097             0.14561043072
                 34.375921827            0.54687466223
                 12.142096955            1.0479006012
                  4.4336767669           0.68894890327
            P    3   1.00
                  2.0971291866           0.75619214724
                  0.80977606956          1.3178212235
                  0.30834046588          0.54312268173
            P    1   1.00
                  0.0897480              1.0000000
            P    1   1.00
                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
                 19.888520061           -0.22857227762
                  3.3668473803           0.73591359951
                  1.5249277839           0.44330199577
            S    1   1.00
                  0.29630037912          1.0000000
            S    1   1.00
                  0.11009288974          1.0000000
            S    1   1.00
                  0.42167294728D-01      1.0000000
            P    5   1.00
               1455.9068120              0.88203597043D-02
                343.75101831             0.66875851967D-01
                109.29554964             0.26640578080
                 39.707711022            0.53834928422
                 14.950185232            0.36303281993
            P    3   1.00
                  8.0208962094           0.34153807025
                  3.2934649756           0.57257906583
                  1.4058602438           0.25549813222
            P    1   1.00
                  0.45076123226          1.0000000
            P    1   1.00
                  0.13353413325          1.0000000
            P    1   1.00
                  0.34396697938D-01      1.0000000
            D    4   1.00
                 94.494024044            0.23490101098D-01
                 27.188185260            0.13747735767D+00
                  9.5091567352           0.36649929124D+00
                  3.4170516853           0.48750989884D+00
            D    1   1.00
                  1.1479590083            .27657943383D+00
            D    1   1.00
                  0.3380000              1.0000000
            D    1   1.00
                  0.82767380906D-01      1.0000000
            ****
            -Br     0
            S    6   1.00
             113286.3877600              0.14283037779D-02
              17009.6263030              0.10950417496D-01
               3870.1842567              0.54421006604D-01
               1093.0357227              0.19047907695
                356.39721797             0.39024642737
                123.12539643             0.30814432514
            S    3   1.00
                236.74084007            -0.11228065671
                 28.468661070            0.64775962312
                 11.883443722            0.44235575986
            S    3   1.00
                 21.269633312           -0.22642576323
                  3.6129226841           0.73823712008
                  1.6626648969           0.42683868694
            S    1   1.00
                  0.34823793232          1.0000000
            S    1   1.00
                  0.13019031394          1.0000000
            S    1   1.00
                  0.50966709763D-01      1.0000000
            P    5   1.00
               1560.2801881              0.87166669072D-02
                368.47859205             0.66243637420D-01
                117.22978849             0.26495610385
                 42.648909248            0.53839160587
                 16.087225096            0.36579387888
            P    3   1.00
                  8.6352810058           0.34248787366
                  3.5613665502           0.57500678213
                  1.5292626609           0.24330394172
            P    1   1.00
                  0.53064294848          1.0000000
            P    1   1.00
                  0.15702758965          1.0000000
            P    1   1.00
                  0.39636841846D-01      1.0000000
            D    4   1.00
                104.85518642             0.22650147581D-01
                 30.281143688            0.13455483230
                 10.651394267            0.36474454537
                  3.8699456233           0.49044587056
            D    1   1.00
                  1.3240876762            .27137289040
            D    1   1.00
                  0.3890000              1.0000000
            D    1   1.00
                  0.96543342393D-01      1.0000000
            ****
            -Kr     0
            S    6   1.00
             120165.6487500              0.14294234496D-02
              18042.5001690              0.10959597020D-01
               4105.1800388              0.54479647470D-01
               1159.4447248              0.19081239122
                378.13810346             0.39140445949
                130.67610045             0.31007346689
            S    3   1.00
                250.96373353            -0.11258604011
                 30.265930380            0.64816322524
                 12.668110757            0.44240238994
            S    3   1.00
                 22.697940101           -0.22391964908
                  3.8673017398           0.74060953026
                  1.8013706671           0.40803658445
            S    1   1.00
                  0.40308639136          1.0000000
            S    1   1.00
                  0.15170527749          1.0000000
            S    1   1.00
                  0.60450731670D-01      1.0000000
            P    5   1.00
               1668.5736623              0.86215009803D-02
                394.13862798             0.65665506884D-01
                125.46644854             0.26366576697
                 45.704992729            0.53867658574
                 17.270133229            0.36865167502
            P    3   1.00
                  9.2699487770           0.34346189015
                  3.8364617719           0.57784776196
                  1.6467163312           0.23075615197
            P    1   1.00
                  0.61479686489          1.0000000
            P    1   1.00
                  0.18319467414          1.0000000
            P    1   1.00
                  0.45792563991D-01      1.0000000
            D    4   1.00
                115.55868603             0.21945485333D-01
                 33.477985864            0.13211212879
                 11.834450207            0.36333306964
                  4.3408254894           0.49300484446
            D    1   1.00
                  1.5079273157            .26676858913
            D    1   1.00
                  0.4430000              1.0000000
            D    1   1.00
                  0.11235044486          1.0000000
            ****
            -Rb     0
            S    3   1.00
                  4.6687885071           0.29008526793
                  2.9442428420          -0.67740090428
                  0.58171262989          0.45712389487
            S    1   1.00
                  0.45147933555          1.0000000
            S    1   1.00
                  0.21604923532          1.0000000
            S    1   1.00
                  0.32088816526D-01      1.0000000
            S    1   1.00
                  0.13833878175D-01      1.0000000
            P    4   1.00
                  5.5234179480           0.51234729472D-01
                  3.4120149646          -0.17337025646
                  0.76899021792          0.43339683188
                  0.33088071786          0.55354332721
            P    1   1.00
                  0.13423268441          1.0000000
            P    1   1.00
                  0.20642679613D-01      1.0000000
            P    1   1.00
                  0.43243763156D-02      1.0000000
            D    1   1.00
                  0.2260000              1.0000000
            D    1   1.00
                  0.27432280711D-01      1.0000000
            ****
            -Sr     0
            S    3   1.00
                  5.9276428767           0.19698765364
                  3.0691274814          -0.64852205985
                  0.70675488028          0.62064729022
            S    1   1.00
                  0.33824024280          1.0000000
            S    1   1.00
                  0.61768869200D-01      1.0000000
            S    1   1.00
                  0.25767593093D-01      1.0000000
            P    4   1.00
                  2.4324720000          -0.37145059848
                  1.6642340000           0.37856824234
                  0.59455471858          0.59874487803
                  0.26152621998          0.35314019512
            P    1   1.00
                  0.10258814042          1.0000000
            P    1   1.00
                  0.33223404030D-01      1.0000000
            P    1   1.00
                  0.16570352270D-01      1.0000000
            D    4   1.00
                  3.6180810000          -0.75010000000D-02
                  0.99665600000          0.10809800000
                  0.39073500000          0.27854000000
                  0.12277000000          0.47731800000
            D    1   1.00
                  0.36655000000D-01       .44818300000
            ****
            -Y     0
            S    3   1.00
                  5.1329580000          -1.3864845457
                  4.2401920000           1.9459581166
                  1.2982800000           0.44182603154
            S    1   1.00
                  0.82904954347          1.0000000
            S    1   1.00
                  0.34752758911          1.0000000
            S    1   1.00
                  0.68418878574D-01      1.0000000
            S    1   1.00
                  0.27323992904D-01      1.0000000
            P    4   1.00
                  2.7279200000          -0.37249884911871
                  1.9790500000           0.32572065995957
                  0.79980886805          0.50094655502482
                  0.38409397354          0.44385929492812
            P    1   1.00
                  0.16173582264          1.0000000
            P    1   1.00
                  0.69700000000D-01      1.0000000
            P    1   1.00
                  0.0300000              1.0000000
            D    4   1.00
                  3.9030833060          -0.0098209792625124
                  1.1363234302           0.19183629664092
                  0.45617043877          0.40597788538820
                  0.17470950748          0.43861485518224
            D    1   1.00
                  0.61978796638D-01      1.0000000
            F    1   1.00
                  0.2651500              1.0000000
            ****
            -Zr     0
            S    3   1.00
                  5.8737890000           0.54255558714
                  4.2872700000          -0.95241333244
                  1.4641370000          -0.13703926411
            S    1   1.00
                  0.83727682345           .88521584390
            S    1   1.00
                  0.36849806511          1.0000000
            S    1   1.00
                  0.77806859124D-01      1.0000000
            S    1   1.00
                  0.30273088330D-01      1.0000000
            P    4   1.00
                  2.8742240000          -0.46624086918
                  2.1199010000           0.45883133891
                  0.78845821105          0.58853912475
                  0.36332579847          0.35822232244
            P    1   1.00
                  0.14951762021          1.0000000
            P    1   1.00
                  0.67000000000D-01      1.0000000
            P    1   1.00
                  0.30000000000D-01      1.0000000
            D    4   1.00
                  4.2898623878          -0.12212868080D-01
                  1.3615557498           0.19692423520
                  0.56937550689          0.42057831659
                  0.22674948677          0.42757027999
            D    1   1.00
                  0.83011031631D-01      1.0000000
            F    1   1.00
                  0.3926100              1.0000000
            ****
            -Nb     0
            S    3   1.00
                  6.5663010000          -0.94917907866
                  4.5864380000           1.5736372883
                  3.7537700000           0.36380422981
            S    1   1.00
                  0.84187717437          1.0000000
            S    1   1.00
                  0.38160666177          1.0000000
            S    1   1.00
                  0.85819911368D-01      1.0000000
            S    1   1.00
                  0.32702330370D-01      1.0000000
            P    4   1.00
                  3.0700630000          -0.51025115881
                  2.2379640000           0.53570598017
                  0.80801969671          0.63102216351
                  0.35783343432          0.30205908942
            P    1   1.00
                  0.13820085283          1.0000000
            P    1   1.00
                  0.70500000000D-01      1.0000000
            P    1   1.00
                  0.0360000              1.0000000
            D    4   1.00
                  4.6170975867          -0.13574476955D-01
                  1.5663438480           0.20374310496
                  0.66952425826          0.42997453105
                  0.27140946867          0.4179975484761
            D    1   1.00
                  0.10054426592          1.0000000
            F    1   1.00
                  0.5227000              1.0000000
            ****
            -Mo     0
            S    3   1.00
                  7.2033800000          -0.89310617237
                  5.0522950000           1.6074095756
                  2.9135330000           0.27804186088
            S    1   1.00
                  0.97858218681          1.0000000
            S    1   1.00
                  0.44369153753          1.0000000
            S    1   1.00
                  0.92150090705D-01      1.0000000
            S    1   1.00
                  0.34802246935D-01      1.0000000
            P    4   1.00
                  3.1518660000          -0.71873040872
                  2.4534820000           0.76442887870
                  0.85030192180          0.64808585640
                  0.36918237179          0.26792115234
            P    1   1.00
                  0.13490627460          1.0000000
            P    1   1.00
                  0.71800000000D-01      1.0000000
            P    1   1.00
                  0.38200000000D-01      1.0000000
            D    4   1.00
                  5.0044445497          -0.21587364862D-01
                  1.7736823324           0.20958680086
                  0.76950591696          0.43730880599
                  0.31530878939          0.41123927009
            D    1   1.00
                  0.11754374390          1.0000000
            F    1   1.00
                  0.6554500              1.0000000
            ****
            -Tc     0
            S    3   1.00
                  7.4344020000          -1.1436289973
                  5.5513270000           1.8752000559
                  3.0230860000           0.23952854431
            S    1   1.00
                  1.0647443990           1.0000000
            S    1   1.00
                  0.48127808497          1.0000000
            S    1   1.00
                  0.98299016952D-01      1.0000000
            S    1   1.00
                  0.36659977936D-01      1.0000000
            P    4   1.00
                  3.4490050000          -0.72277510434
                  2.6927370000           0.76458962802
                  0.94427370692          0.64533225171
                  0.41348148619          0.27195668811
            P    1   1.00
                  0.15488152305          1.0000000
            P    1   1.00
                  0.79000000000D-01      1.0000000
            P    1   1.00
                  0.40300000000D-01      1.0000000
            D    4   1.00
                  5.0906268699          -0.32176405405D-01
                  2.0156178510           0.21280802536
                  0.88113887240          0.44403309175
                  0.36427094833          0.40796933085
            D    1   1.00
                  0.13678402297          1.0000000
            F    1   1.00
                  0.7908500              1.0000000
            ****
            -Ru     0
            S    3   1.00
                  7.9365700000          -1.1772083350
                  5.9842450000           1.6197059592
                  4.8822200000           0.51065807556
            S    1   1.00
                  1.1031002163           1.0000000
            S    1   1.00
                  0.49818875261          1.0000000
            S    1   1.00
                  0.10678711393          1.0000000
            S    1   1.00
                  0.39191775872D-01      1.0000000
            P    4   1.00
                  3.7546090000          -0.70777873563
                  2.9165710000           0.74954391484
                  1.0322209568           0.64660609645
                  0.45249553774          0.27029086816
            P    1   1.00
                  0.16987042198          1.0000000
            P    1   1.00
                  0.85500000000D-01      1.0000000
            P    1   1.00
                  0.43000000000D-01      1.0000000
            D    4   1.00
                  5.7341846619          -0.35266111560D-01
                  2.2483686294           0.21802502222
                  0.98376978359          0.44709565013
                  0.40379445583          0.40371732508
            D    1   1.00
                  0.14978618173          1.0000000
            F    1   1.00
                  0.9431400              1.0000000
            ****
            -Rh     0
            S    3   1.00
                  7.9177440000           0.14014042010165D+01
                  6.8412070000          -0.17975072656312D+01
                  2.9598400000          -0.16225754496571
            S    1   1.00
                  1.3166643441            .87495110714057
            S    1   1.00
                  0.56907152172          1.0000000
            S    1   1.00
                  0.10059695193          1.0000000
            S    1   1.00
                  0.37071460798D-01      1.0000000
            P    4   1.00
                  4.1360790000          -0.55183328017626
                  2.9462810000           0.61370533515352
                  1.0792431924           0.64005434538256
                  0.46611217769          0.25958050755066
            P    1   1.00
                  0.17453169991          1.0000000
            P    1   1.00
                  0.84600000000D-01      1.0000000
            P    1   1.00
                  0.0410000              1.0000000
            D    4   1.00
                  6.8847131641          -0.15962387984517D-01
                  2.3837304391           0.23047555828858
                  1.0184384022           0.44075804027937
                  0.39957494644          0.39567661995894
            D    1   1.00
                  0.13951120264          1.0000000
            F    1   1.00
                  1.0949900              1.0000000
            ****
            -Pd     0
            S    3   1.00
                  8.4756400000           1.2392391076
                  7.1657170000          -1.6563109970
                  3.1821100000          -0.13178619060
            S    1   1.00
                  1.3973644196           1.0000000
            S    1   1.00
                  0.60532955868          1.0000000
            S    1   1.00
                  0.10229514209          1.0000000
            S    1   1.00
                  0.37338972881D-01      1.0000000
            P    4   1.00
                  4.2460970000          -0.82324104973
                  3.3925940000           0.87084659933
                  1.1975891264           0.63512225791
                  0.52673750585          0.27225338752
            P    1   1.00
                  0.20607094098          1.0000000
            P    1   1.00
                  0.87300000000D-01      1.0000000
            P    1   1.00
                  0.37000000000D-01      1.0000000
            D    4   1.00
                  7.3613290985          -0.17199885828D-01
                  2.6291037258           0.23313745275
                  1.1292744634           0.44536385867
                  0.44471659896          0.39293650406
            D    1   1.00
                  0.15544893836          1.0000000
            F    1   1.00
                  1.2462900              1.0000000
            ****
            -Ag     0
            S    3   1.00
                  9.0884420000          -1.9808918797
                  7.5407310000           2.7554513347
                  2.7940050000           0.22715408381
            S    1   1.00
                  1.4918135849           1.0000000
            S    1   1.00
                  0.63579159445          1.0000000
            S    1   1.00
                  0.10368414161          1.0000000
            S    1   1.00
                  0.37460004363D-01      1.0000000
            P    4   1.00
                  4.4512400000          -0.99352103771
                  3.6752630000           1.0500525237
                  1.2610620905           0.64747532537
                  0.54212477498          0.25621550723
            P    1   1.00
                  0.20221617026          1.0000000
            P    1   1.00
                  0.91300000000D-01      1.0000000
            P    1   1.00
                  0.0412000              1.0000000
            D    4   1.00
                  7.7956672292          -0.17042912377D-01
                  2.8926510238           0.23446154803
                  1.2474273203           0.44765877533
                  0.49313817671          0.39064954560
            D    1   1.00
                  0.17285032603          1.0000000
            F    1   1.00
                  1.3971100              1.0000000
            ****
            -Cd     0
            S    3   1.00
                  9.7270110000          -1.7930075316
                  7.8375230000           2.6110318971
                  5.0891940000           0.10748428949
            S    1   1.00
                  1.4981738327           1.0000000
            S    1   1.00
                  0.67281383129          1.0000000
            S    1   1.00
                  0.13297424875          1.0000000
            S    1   1.00
                  0.46915090488D-01      1.0000000
            P    4   1.00
                  4.7427160000          -1.0411923051
                  3.9366550000           1.1003682332
                  1.3569243142           0.65366639411
                  0.58791569541          0.24632369113
            P    1   1.00
                  0.21371239619          1.0000000
            P    1   1.00
                  0.10500000000          1.0000000
            P    1   1.00
                  0.0516000              1.0000000
            D    4   1.00
                  7.8631040859          -0.21376239365D-01
                  3.2935059133           0.22596399568
                  1.4503676025           0.45294402972
                  0.59373316766          0.39218971958231D+00
            D    1   1.00
                  0.21760141520          1.0000000
            F    1   1.00
                  1.5981300              1.0000000
            ****
            -In     0
            S    6   1.00
                283.52297445             0.70132141424D-03
                 23.324282101           -0.90887432418D-01
                 16.868026844            0.28096825177
                  6.7866498137          -0.70697832452
                  1.6782596016           0.98671644913
                  0.78396870439          0.62568576302
            S    2   1.00
                  1.8276654775          -0.34151640249
                  0.83753492534         -0.59696724334
            S    1   1.00
                  0.16643068973          1.0000000
            S    1   1.00
                  0.61143742809D-01      1.0000000
            S    1   1.00
                  0.25528481617D-01      1.0000000
            P    4   1.00
                 14.699191826            0.92248042349D-01
                  8.8709038051          -0.32437029300
                  1.1342905889           0.61162217018
                  0.52667652433          0.17609640386
            P    1   1.00
                  2.3284433667           1.0000000
            P    1   1.00
                  0.16859144934          1.0000000
            P    1   1.00
                  0.50070381081D-01      1.0000000
            D    5   1.00
                 31.378655926            0.54007004722D-02
                 18.290046326           -0.11208558948D-01
                  3.2551894590           0.30384519161
                  1.3874842584           0.54078109979
                  0.54248962672          0.38232680038
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.41325112998D-01      1.0000000
            ****
            -Sn     0
            S    6   1.00
                375.95156177             0.15224884228D-02
                 23.661818008           -0.16776065030
                 19.946281315            0.33989090393
                  6.8240270454          -0.84441791529
                  1.8771488722           0.92646952846
                  0.82033199226          0.53091094490
            S    2   1.00
                 10.341549887           -0.90331119154D-02
                  1.3672524155           0.22980877714
            S    1   1.00
                  0.18314843823          1.0000000
            S    1   1.00
                  0.69547226146D-01      1.0000000
            S    1   1.00
                  0.34867474697D-01      1.0000000
            P    4   1.00
                 21.293597748            0.37103218279D-01
                  8.8171842499          -0.32351709661
                  1.2347028371           0.83846760898
                  0.57869142617          0.23294977050
            P    1   1.00
                  2.5084050284           1.0000000
            P    1   1.00
                  0.21298577719          1.0000000
            P    1   1.00
                  0.67364584657D-01      1.0000000
            D    5   1.00
                 39.693023177            0.39185734275D-02
                 20.852179275           -0.68210073667D-02
                  3.6907832774           0.27938420495
                  1.5849404530           0.52607409874
                  0.62772693365          0.36149465348
            D    1   1.00
                  0.20500000000          1.0000000
            D    1   1.00
                  0.54356625231D-01      1.0000000
            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
                  1.9052000235           0.92017581656
                  0.93007107773          0.46754079597
            S    2   1.00
                 10.584496987           -0.14845336778D-01
                  1.4680242769           0.35289492025
            S    1   1.00
                  0.21621190032          1.0000000
            S    1   1.00
                  0.83546307041D-01      1.0000000
            S    1   1.00
                  0.43729879440D-01      1.0000000
            P    4   1.00
                 15.926550950            0.13206950012
                 10.052739237           -0.41511149340
                  1.2682183726           0.74197972626
                  0.57196620929          0.15580772750
            P    1   1.00
                  2.6190751238           1.0000000
            P    1   1.00
                  0.25183282652          1.0000000
            P    1   1.00
                  0.83389127684D-01      1.0000000
            D    5   1.00
                 45.485063360            0.32556415807D-02
                 18.504059617           -0.54952972010D-02
                  3.9156032308           0.27988806353
                  1.7142196009           0.51273377761
                  0.69675478242          0.33288802736
            D    1   1.00
                  0.23060000000          1.0000000
            D    1   1.00
                  0.66830850850D-01      1.0000000
            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
                  2.0705998798           0.79192928400
                  0.97715185085          0.40558342540
            S    2   1.00
                 11.263563841           -0.15212984183D-01
                  1.6122696062           0.35202140517
            S    1   1.00
                  0.25095401705          1.0000000
            S    1   1.00
                  0.97478452576D-01      1.0000000
            S    1   1.00
                  0.38352170654D-01      1.0000000
            P    4   1.00
                 17.479502221            0.11517799182
                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
                  0.59239616258          0.15283299018
            P    1   1.00
                  2.7961737670           1.0000000
            P    1   1.00
                  0.29766401026          1.0000000
            P    1   1.00
                  0.96151090240D-01      1.0000000
            P    1   1.00
                  0.26339831052D-01      1.0000000
            D    5   1.00
                 50.821835991            0.33763474774D-02
                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
                  0.77069282849          0.32213541689
            D    1   1.00
                  0.25000000000          1.0000000
            D    1   1.00
                  0.66543837442D-01      1.0000000
            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
                 11.720547572           -0.16160234511D-01
                  1.7625986449           0.35271525193
            S    1   1.00
                  0.28697476318          1.0000000
            S    1   1.00
                  0.11227609607          1.0000000
            S    1   1.00
                  0.45123635492D-01      1.0000000
            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
                  3.0288656771           1.0000000
            P    1   1.00
                  0.34506591841          1.0000000
            P    1   1.00
                  0.11134513813          1.0000000
            P    1   1.00
                  0.29795507230D-01      1.0000000
            D    5   1.00
                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
                  0.87640281623          0.31232025297
            D    1   1.00
                  0.30900000000          1.0000000
            D    1   1.00
                  0.77987255180D-01      1.0000000
            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
                 18.048324490            0.57524870348
            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
                  2.6257211320           1.0000000
            S    1   1.00
                  1.2905042943           1.0000000
            S    1   1.00
                  0.36204185060          1.0000000
            S    1   1.00
                  0.14069888091          1.0000000
            S    1   1.00
                  0.50201095588D-01      1.0000000
            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
                  0.52321923128          1.0000000
            P    1   1.00
                  0.21945569800          1.0000000
            P    1   1.00
                  0.86158996836D-01      1.0000000
            P    1   1.00
                  0.23749464135D-01      1.0000000
            D    6   1.00
                135.60300038             0.81873543290D-03
                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
                  1.2938205124           0.36029482992
            D    1   1.00
                  0.58050830139          1.0000000
            D    1   1.00
                  0.18000000000          1.0000000
            D    1   1.00
                  0.68002755933D-01      1.0000000
            F    1   1.00
                  2.5000000              1.0000000
            F    1   1.00
                  0.49652793             1.0000000
            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
                  0.37485237136          1.0000000
            S    1   1.00
                  0.16384858778          1.0000000
            S    1   1.00
                  0.27230462048D-01      1.0000000
            S    1   1.00
                  0.11991533212D-01      1.0000000
            P    4   1.00
                  4.2751856154           0.45723074174D-01
                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
                  0.91450850296D-01      1.0000000
            P    1   1.00
                  0.17592078473D-01      1.0000000
            P    1   1.00
                  0.33986441258D-02      1.0000000
            D    1   1.00
                  0.1330000              1.0000000
            D    1   1.00
                  0.33216214821D-01      1.0000000
            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
                  0.27420073547          1.0000000
            S    1   1.00
                  0.40933264188D-01      1.0000000
            S    1   1.00
                  0.18060156423D-01      1.0000000
            P    4   1.00
                  2.9267420000           0.79815276764
                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
                  0.13221792446          1.0000000
            P    1   1.00
                  0.33039565349D-01      1.0000000
            P    1   1.00
                  0.14159090510D-01      1.0000000
            D    4   1.00
                  0.9663150             -0.9089380
                  0.8938280              0.9472400
                  0.2731950              0.3220570
                  0.1038910              0.4732600
            D    1   1.00
                  0.0355780              0.365977
            F    4   1.00
                 10.00                   0.073
                  3.20                   0.210
                  1.00                   0.350
                  0.32                   0.360
            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
                  0.48954926461          1.0000000
            S    1   1.00
                  0.23292032550          1.0000000
            S    1   1.00
                  0.55595529876D-01      1.0000000
            S    1   1.00
                  0.22795184937D-01      1.0000000
            P    4   1.00
                  3.0251610000          -0.28580266654872D+00
                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
                  0.32519427171         -0.58864843929619D+00
            P    1   1.00
                  0.13635489374          1.0000000
            P    1   1.00
                  0.58500000000D-01      1.0000000
            P    1   1.00
                  0.0251000              1.0000000
            D    4   1.00
                  1.2667182018          -0.17445579381106D+00
                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
                  0.13398788830          0.44878277154181D+00
            D    1   1.00
                  0.51275503081D-01      1.0000000
            F    1   1.00
                  0.2568300              1.0000000
            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
                  0.79665469409          1.0000000
            S    1   1.00
                  0.34234072894          1.0000000
            S    1   1.00
                  0.98109197714D-01      1.0000000
            S    1   1.00
                  0.36190984443D-01      1.0000000
            P    4   1.00
                  6.7265310000           0.65076205465872
                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
                  0.20258973792          1.0000000
            P    1   1.00
                  0.82500000000D-01      1.0000000
            P    1   1.00
                  0.0336000              1.0000000
            D    4   1.00
                  3.9820623229          -0.042446023944105
                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
                  0.73099858787D-01      1.0000000
            F    1   1.00
                  0.3154700              1.0000000
            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
                  0.39142776556D-01      1.0000000
            P    4   1.00
                  7.4188720000           0.26979695152
                  5.6984100000          -0.46968874449
                  1.1777211960           0.50905100155
                  0.54478533555          0.52298161137
            P    1   1.00
                  0.22309270117          1.0000000
            P    1   1.00
                  0.98100000000D-01      1.0000000
            P    1   1.00
                  0.0431000              1.0000000
            D    4   1.00
                  3.9738796278          -0.52799310714D-01
                  1.4528884813           0.18558319471
                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
                  0.87909318337D-01      1.0000000
            F    1   1.00
                  0.3738600              1.0000000
            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
            S    1   1.00
                  0.92785370307          1.0000000
            S    1   1.00
                  0.40334458241          1.0000000
            S    1   1.00
                  0.11585976646          1.0000000
            S    1   1.00
                  0.41800474073D-01      1.0000000
            P    4   1.00
                  7.2496570000           0.45857265530
                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
                  0.24106964301          1.0000000
            P    1   1.00
                  0.98600000000D-01      1.0000000
            P    1   1.00
                  0.0403000              1.0000000
            D    4   1.00
                  4.0131231332          -0.63416491808D-01
                  1.6237452450           0.18452733732
                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
                  0.10225296446          1.0000000
            F    1   1.00
                  0.4319900              1.0000000
            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
            S    1   1.00
                  0.43949851581D-01      1.0000000
            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
                  0.25922718696          1.0000000
            P    1   1.00
                  0.11190000000          1.0000000
            P    1   1.00
                  0.04200000000          1.0000000
            D    4   1.00
                  4.0616274916          -0.76667295205D-01
                  1.8487943286           0.18067495215
                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
                  0.11892742980          1.0000000
            F    1   1.00
                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
                  0.46783543749          1.0000000
            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
                  0.47101982911D-01      1.0000000
            P    4   1.00
                  7.9362790000           0.33899369659
                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
                  0.12830000000          1.0000000
            P    1   1.00
                  0.04800000000          1.0000000
            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
                  0.31306011113          1.0000000
            P    1   1.00
                  0.13100000000          1.0000000
            P    1   1.00
                  0.0548000              1.0000000
            D    4   1.00
                  3.6994850000          -0.54840155964653
                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
                  0.48989034059D-01      1.0000000
            P    4   1.00
                  8.1000000000           0.72955608128
                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
                  0.30270484669          1.0000000
            P    1   1.00
                  0.12300000000          1.0000000
            P    1   1.00
                  0.50000000000D-01      1.0000000
            D    4   1.00
                  4.6299536825          -0.87774450596D-01
                  2.1980241252           0.21158360681
                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
                  0.48876985527D-01      1.0000000
            P    4   1.00
                  8.6096650000           0.50053018599
                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
                  0.32384840661          1.0000000
            P    1   1.00
                  0.13220000000          1.0000000
            P    1   1.00
                  0.0540000              1.0000000
            D    4   1.00
                  4.1439490000          -0.37099566643
                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
                  0.16490636769          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
                  9.7729900000           0.21210940502
                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
                  0.34494917659          1.0000000
            P    1   1.00
                  0.15540000000          1.0000000
            P    1   1.00
                  0.07000000000          1.0000000
            D    4   1.00
                  4.2800000000          -0.32033414305491
                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
                  0.18501599388          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-223740.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    223741.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=31_naproxen_conformer03_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "31_naproxen_conformer03_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.534503000000     -0.540241000000      0.250726000000
  C                                                 1.208047000000      0.686254000000     -0.018994000000
  C                                                -0.871111000000     -0.548582000000      0.352837000000
  C                                                -1.615360000000      0.600511000000      0.194237000000
  C                                                -0.937903000000      1.810722000000     -0.077253000000
  C                                                 0.429321000000      1.854269000000     -0.179299000000
  C                                                 1.312272000000     -1.716102000000      0.408925000000
  H                                                -1.366601000000     -1.491361000000      0.557454000000
  H                                                -1.515348000000      2.718805000000     -0.203162000000
  H                                                 0.928391000000      2.793066000000     -0.386339000000
  C                                                -3.123514000000      0.580399000000      0.330991000000
  C                                                -3.582702000000      0.341624000000      1.771049000000
  C                                                -3.808238000000     -0.400692000000     -0.629910000000
  H                                                -3.495206000000      1.561723000000      0.013814000000
  H                                                -3.241865000000     -0.630545000000      2.127829000000
  H                                                -4.668885000000      0.361293000000      1.833837000000
  H                                                -3.169487000000      1.109726000000      2.424876000000
  O                                                -4.830838000000     -0.974186000000     -0.383978000000
  O                                                -3.217917000000     -0.549143000000     -1.838643000000
  H                                                -2.355614000000     -0.107100000000     -1.835698000000
  C                                                 2.671053000000     -1.679537000000      0.307450000000
  C                                                 3.338655000000     -0.457152000000      0.039453000000
  C                                                 2.621063000000      0.703564000000     -0.121448000000
  O                                                 4.689861000000     -0.555418000000     -0.036901000000
  C                                                 5.432086000000      0.622962000000     -0.304199000000
  H                                                 0.808612000000     -2.652916000000      0.612592000000
  H                                                 3.271812000000     -2.571003000000      0.426688000000
  H                                                 3.110374000000      1.644342000000     -0.326736000000
  H                                                 5.158044000000      1.051824000000     -1.272282000000
  H                                                 6.476520000000      0.322638000000     -0.322951000000
  H                                                 5.281369000000      1.371486000000      0.478872000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     31 NQM=       31 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12           1           1           1           1          16          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  15.9949146   1.0078250
 NucSpn=           0           0           0           1           1           1           1           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   8.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          16          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31
 IAtWgt=           1
 AtmWgt=   1.0078250
 NucSpn=           1
 AtZEff=   1.0000000
 NQMom=    0.0000000
 NMagM=    2.7928460
 AtZNuc=   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.425026   0.000000
     3  C    1.409343   2.446625   0.000000
     4  C    2.434423   2.832745   1.378215   0.000000
     5  C    2.793309   2.423412   2.399115   1.413246   0.000000
     6  C    2.435090   1.412930   2.783520   2.427377   1.371718
     7  C    1.418662   2.442395   2.476572   3.739494   4.211668
     8  H    2.147768   3.420981   1.084532   2.137694   3.389747
     9  H    3.876762   3.403243   3.376388   2.157568   1.083472
    10  H    3.416421   2.156805   3.866678   3.408084   2.131569
    11  C    3.826665   4.346966   2.519602   1.514475   2.541113
    12  C    4.476656   5.125846   3.186929   2.534520   3.545339
    13  C    4.433328   5.168925   3.100706   2.547615   3.665325
    14  H    4.551147   4.784152   3.384405   2.119033   2.571010
    15  H    4.218131   5.113172   2.962733   2.810657   4.016268
    16  H    5.513098   6.170649   4.176640   3.474123   4.435463
    17  H    4.600963   5.031365   3.510821   2.765929   3.425202
    18  O    5.420151   6.273628   4.050120   3.626748   4.796325
    19  O    4.294904   4.942316   3.210932   2.832401   3.724234
    20  H    3.590759   4.077929   2.681108   2.273615   2.963119
    21  C    2.421995   2.800700   3.718608   4.856416   5.035322
    22  C    2.813327   2.418736   4.222404   5.068025   4.842089
    23  C    2.457498   1.416831   3.740066   4.249418   3.727464
    24  O    4.165328   3.696633   5.574617   6.414469   6.105078
    25  C    5.064317   4.234130   6.444727   7.065086   6.483752
    26  H    2.160898   3.421769   2.705026   4.078658   4.842547
    27  H    3.412890   3.881685   4.610797   5.830693   6.097144
    28  H    3.426511   2.152089   4.595972   4.867603   4.059368
    29  H    5.121656   4.160150   6.446163   6.945024   6.258162
    30  H    6.031686   5.289746   7.429899   8.113151   7.566269
    31  H    5.122449   4.160453   6.446360   6.945523   6.259517
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.724669   0.000000
     8  H    3.867994   2.692384   0.000000
     9  H    2.128316   5.295138   4.280906   0.000000
    10  H    1.083179   4.594824   4.951166   2.451720   0.000000
    11  C    3.808645   4.995617   2.725843   2.728424   4.672086
    12  C    4.710444   5.481823   3.121498   3.717856   5.569008
    13  C    4.821287   5.387866   2.925916   3.894961   5.717960
    14  H    3.940151   5.831989   3.761360   2.303422   4.609180
    15  H    4.997474   4.987307   2.593009   4.430861   5.952578
    16  H    5.680968   6.490006   3.995818   4.433060   6.494013
    17  H    4.504164   5.668821   3.674686   3.497413   5.246825
    18  O    5.975895   6.238344   3.626941   4.966221   6.881926
    19  O    4.672489   5.189987   3.171187   4.031504   5.520092
    20  H    3.787676   4.591362   2.936239   3.370009   4.614791
    21  C    4.213083   1.363055   4.049761   6.093611   4.849989
    22  C    3.722196   2.414061   4.845343   5.805765   4.068733
    23  C    2.476126   2.801609   4.602181   4.601931   2.702096
    24  O    4.896843   3.599174   6.157108   7.018034   5.048080
    25  C    5.153579   4.790891   7.171817   7.257383   4.999937
    26  H    4.591914   1.082947   2.466536   5.909453   5.538134
    27  H    5.294337   2.137982   4.764200   7.162100   5.909811
    28  H    2.693298   3.881617   5.536942   4.750478   2.466611
    29  H    4.919284   5.027707   7.237867   6.961035   4.659054
    30  H    6.239803   5.600139   8.098164   8.344215   6.073612
    31  H    4.920227   5.029098   7.238617   6.962457   4.660246
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.530240   0.000000
    13  C    1.534509   2.523193   0.000000
    14  H    1.096245   2.141068   2.088885   0.000000
    15  H    2.170027   1.090218   2.824665   3.056024   0.000000
    16  H    2.166731   1.088174   2.718710   2.476093   1.762544
    17  H    2.160244   1.090054   3.467143   2.474594   1.766923
    18  O    2.417203   2.816619   1.197952   2.893611   2.992006
    19  O    2.447874   3.735828   1.353348   2.822099   3.967379
    20  H    2.399347   3.836108   1.910559   2.739404   4.094995
    21  C    6.219716   6.733251   6.670480   6.972427   6.275091
    22  C    6.551422   7.179251   7.178392   7.125880   6.906129
    23  C    5.763682   6.496095   6.543228   6.177660   6.419737
    24  O    7.904066   8.515202   8.520169   8.454595   8.222164
    25  C    8.579252   9.254848   9.302556   8.982146   9.095244
    26  H    5.098553   5.439939   5.285038   6.053476   4.774127
    27  H    7.130266   7.568029   7.480224   7.939926   7.006229
    28  H    6.358140   7.134076   7.220891   6.614869   7.179898
    29  H    8.448487   9.282612   9.105858   8.763149   9.216810
    30  H    9.625733  10.274879  10.314731  10.054057  10.067864
    31  H    8.443326   9.016767   9.326895   8.790946   8.909136
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.776984   0.000000
    18  O    2.593923   3.872007   0.000000
    19  O    4.052322   4.575127   2.213194   0.000000
    20  H    4.363038   4.505058   2.997676   0.969008   0.000000
    21  C    7.769783   6.809948   7.566635   6.368946   5.686213
    22  C    8.246840   7.106424   8.196782   6.820876   6.005283
    23  C    7.555371   6.338707   7.642944   6.213833   5.325706
    24  O    9.587812   8.402524   9.536222   8.110442   7.285285
    25  C   10.328082   9.037248  10.386763   8.862895   7.970367
    26  H    6.370233   5.767766   5.967804   5.162107   4.742112
    27  H    8.580973   7.683154   8.298189   7.164930   6.546536
    28  H    8.175033   6.877051   8.361986   6.866186   5.934774
    29  H   10.329247   9.111537  10.230912   8.546378   7.623359
    30  H   11.352237  10.060592  11.381644   9.850860   8.971046
    31  H   10.092768   8.675968  10.416497   9.016516   8.115846
                   21         22         23         24         25
    21  C    0.000000
    22  C    1.418358   0.000000
    23  C    2.421905   1.374078   0.000000
    24  O    2.336195   1.356924   2.423243   0.000000
    25  C    3.646768   2.380587   2.818110   1.418071   0.000000
    26  H    2.123503   3.398674   3.884553   4.459309   5.740069
    27  H    1.081592   2.150066   3.383300   2.507660   3.924588
    28  H    3.412238   2.145340   1.080107   2.723551   2.536547
    29  H    4.017588   2.703301   2.807486   2.080526   1.093712
    30  H    4.345997   3.253553   3.879466   2.011208   1.086917
    31  H    4.018940   2.703913   2.807798   2.080592   1.093711
                   26         27         28         29         30
    26  H    0.000000
    27  H    2.471563   0.000000
    28  H    4.964562   4.285189   0.000000
    29  H    6.016262   4.423714   2.331971   0.000000
    30  H    6.469493   4.382382   3.616332   1.780820   0.000000
    31  H    6.018243   4.425411   2.331668   1.784358   1.780839
                   31
    31  H    0.000000
 Stoichiometry    C14H14O3
 Framework group  C1[X(C14H14O3)]
 Deg. of freedom    87
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.39D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.534503   -0.540241    0.250726
      2          6           0        1.208047    0.686254   -0.018994
      3          6           0       -0.871111   -0.548582    0.352837
      4          6           0       -1.615360    0.600511    0.194237
      5          6           0       -0.937903    1.810722   -0.077253
      6          6           0        0.429321    1.854269   -0.179299
      7          6           0        1.312272   -1.716102    0.408925
      8          1           0       -1.366601   -1.491361    0.557454
      9          1           0       -1.515348    2.718805   -0.203162
     10          1           0        0.928391    2.793066   -0.386339
     11          6           0       -3.123514    0.580399    0.330991
     12          6           0       -3.582702    0.341624    1.771049
     13          6           0       -3.808238   -0.400692   -0.629910
     14          1           0       -3.495206    1.561723    0.013814
     15          1           0       -3.241865   -0.630545    2.127829
     16          1           0       -4.668885    0.361293    1.833837
     17          1           0       -3.169487    1.109726    2.424876
     18          8           0       -4.830838   -0.974186   -0.383978
     19          8           0       -3.217917   -0.549143   -1.838643
     20          1           0       -2.355614   -0.107100   -1.835698
     21          6           0        2.671053   -1.679537    0.307450
     22          6           0        3.338655   -0.457152    0.039453
     23          6           0        2.621063    0.703564   -0.121448
     24          8           0        4.689861   -0.555418   -0.036901
     25          6           0        5.432086    0.622962   -0.304199
     26          1           0        0.808612   -2.652916    0.612592
     27          1           0        3.271812   -2.571003    0.426688
     28          1           0        3.110374    1.644342   -0.326736
     29          1           0        5.158044    1.051824   -1.272282
     30          1           0        6.476520    0.322638   -0.322951
     31          1           0        5.281369    1.371486    0.478872
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3250595           0.2107099           0.2001932
 Leave Link  202 at Thu Aug 12 22:36:16 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     14     15     16     17     20     26     27
 Centers:      28     29     30     31
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     13
 Centers:      21     22     23     25
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      18     19     24
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   461 symmetry adapted basis functions of A   symmetry.
   461 basis functions,   693 primitive gaussians,   495 cartesian basis functions
    61 alpha electrons       61 beta electrons
       nuclear repulsion energy      1136.4794098437 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   31 NActive=   31 NUniq=   31 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0210315396 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1136.4583783041 Hartrees.
 Leave Link  301 at Thu Aug 12 22:36:17 2021, MaxMem=  5368709120 cpu:               4.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   461 RedAO= T EigKep=  4.34D-06  NBF=   461
 NBsUse=   461 1.00D-06 EigRej= -1.00D+00 NBFU=   461
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   493   493   493   493   493 MxSgAt=    31 MxSgA2=    31.
 Leave Link  302 at Thu Aug 12 22:36:17 2021, MaxMem=  5368709120 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:36:17 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "31_naproxen_conformer03_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:36:18 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368210351 LenY=  5367964831
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -766.837242621756    
 DIIS: error= 3.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -766.837242621756     IErMin= 1 ErrMin= 3.71D-03
 ErrMax= 3.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-02 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.300 Goal=   None    Shift=    0.000
 GapD=    0.300 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.75D-03 MaxDP=3.95D-01              OVMax= 1.59D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.73D-03    CP:  9.82D-01
 E= -766.852879301483     Delta-E=       -0.015636679727 Rises=F Damp=F
 DIIS: error= 6.55D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -766.852879301483     IErMin= 2 ErrMin= 6.55D-04
 ErrMax= 6.55D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.61D-04 BMatP= 1.96D-02
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.55D-03
 Coeff-Com: -0.392D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.389D-03 0.100D+01
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.28D-03 MaxDP=6.11D-02 DE=-1.56D-02 OVMax= 7.53D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.75D-04    CP:  1.00D+00  1.09D+00
 E= -766.853397500021     Delta-E=       -0.000518198538 Rises=F Damp=F
 DIIS: error= 6.69D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -766.853397500021     IErMin= 2 ErrMin= 6.55D-04
 ErrMax= 6.69D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.68D-04 BMatP= 6.61D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.69D-03
 Coeff-Com: -0.451D-01 0.490D+00 0.555D+00
 Coeff-En:   0.000D+00 0.102D+00 0.898D+00
 Coeff:     -0.448D-01 0.487D+00 0.558D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=1.38D-04 MaxDP=4.72D-03 DE=-5.18D-04 OVMax= 2.89D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.00D+00  1.09D+00  1.04D+00
 E= -766.853786041925     Delta-E=       -0.000388541905 Rises=F Damp=F
 DIIS: error= 1.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -766.853786041925     IErMin= 4 ErrMin= 1.17D-04
 ErrMax= 1.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.93D-05 BMatP= 5.68D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.17D-03
 Coeff-Com: -0.155D-01 0.914D-01 0.180D+00 0.744D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.155D-01 0.913D-01 0.180D+00 0.744D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=7.45D-05 MaxDP=2.82D-03 DE=-3.89D-04 OVMax= 1.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.89D-05    CP:  1.00D+00  1.09D+00  1.06D+00  1.09D+00
 E= -766.853804968421     Delta-E=       -0.000018926496 Rises=F Damp=F
 DIIS: error= 3.54D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -766.853804968421     IErMin= 5 ErrMin= 3.54D-05
 ErrMax= 3.54D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-06 BMatP= 1.93D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.925D-03-0.334D-01-0.265D-01 0.238D+00 0.821D+00
 Coeff:      0.925D-03-0.334D-01-0.265D-01 0.238D+00 0.821D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=2.87D-05 MaxDP=1.22D-03 DE=-1.89D-05 OVMax= 6.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.97D-05    CP:  1.00D+00  1.09D+00  1.08D+00  1.14D+00  9.50D-01
 E= -766.853808188429     Delta-E=       -0.000003220008 Rises=F Damp=F
 DIIS: error= 1.71D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -766.853808188429     IErMin= 6 ErrMin= 1.71D-05
 ErrMax= 1.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-07 BMatP= 2.48D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.128D-02-0.193D-01-0.217D-01 0.588D-01 0.344D+00 0.637D+00
 Coeff:      0.128D-02-0.193D-01-0.217D-01 0.588D-01 0.344D+00 0.637D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=6.48D-06 MaxDP=2.57D-04 DE=-3.22D-06 OVMax= 1.98D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.28D-06    CP:  1.00D+00  1.09D+00  1.08D+00  1.14D+00  9.92D-01
                    CP:  9.50D-01
 E= -766.853808532797     Delta-E=       -0.000000344368 Rises=F Damp=F
 DIIS: error= 7.07D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -766.853808532797     IErMin= 7 ErrMin= 7.07D-06
 ErrMax= 7.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.82D-08 BMatP= 3.07D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.384D-03-0.237D-02-0.447D-02-0.178D-01-0.211D-02 0.259D+00
 Coeff-Com:  0.767D+00
 Coeff:      0.384D-03-0.237D-02-0.447D-02-0.178D-01-0.211D-02 0.259D+00
 Coeff:      0.767D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.48D-06 MaxDP=1.11D-04 DE=-3.44D-07 OVMax= 1.27D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.39D-06    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.00D+00
                    CP:  9.74D-01  1.31D+00
 E= -766.853808618608     Delta-E=       -0.000000085811 Rises=F Damp=F
 DIIS: error= 2.63D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -766.853808618608     IErMin= 8 ErrMin= 2.63D-06
 ErrMax= 2.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-09 BMatP= 4.82D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.794D-04 0.242D-02 0.241D-02-0.150D-01-0.574D-01-0.422D-01
 Coeff-Com:  0.244D+00 0.866D+00
 Coeff:     -0.794D-04 0.242D-02 0.241D-02-0.150D-01-0.574D-01-0.422D-01
 Coeff:      0.244D+00 0.866D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.28D-06 MaxDP=6.13D-05 DE=-8.58D-08 OVMax= 7.16D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.59D-07    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.00D+00
                    CP:  1.00D+00  1.39D+00  1.25D+00
 E= -766.853808634418     Delta-E=       -0.000000015811 Rises=F Damp=F
 DIIS: error= 1.56D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -766.853808634418     IErMin= 9 ErrMin= 1.56D-06
 ErrMax= 1.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.89D-09 BMatP= 7.13D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.923D-04 0.148D-02 0.183D-02-0.457D-02-0.265D-01-0.626D-01
 Coeff-Com:  0.265D-02 0.436D+00 0.652D+00
 Coeff:     -0.923D-04 0.148D-02 0.183D-02-0.457D-02-0.265D-01-0.626D-01
 Coeff:      0.265D-02 0.436D+00 0.652D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=4.82D-07 MaxDP=1.75D-05 DE=-1.58D-08 OVMax= 2.55D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.09D-07    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.01D+00
                    CP:  9.96D-01  1.43D+00  1.25D+00  1.14D+00
 E= -766.853808637254     Delta-E=       -0.000000002835 Rises=F Damp=F
 DIIS: error= 3.88D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -766.853808637254     IErMin=10 ErrMin= 3.88D-07
 ErrMax= 3.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-10 BMatP= 1.89D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.176D-04 0.111D-03 0.211D-03 0.677D-03 0.174D-03-0.122D-01
 Coeff-Com: -0.325D-01 0.394D-02 0.153D+00 0.887D+00
 Coeff:     -0.176D-04 0.111D-03 0.211D-03 0.677D-03 0.174D-03-0.122D-01
 Coeff:     -0.325D-01 0.394D-02 0.153D+00 0.887D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=2.22D-07 MaxDP=6.82D-06 DE=-2.84D-09 OVMax= 1.11D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.52D-07    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.01D+00
                    CP:  9.93D-01  1.44D+00  1.29D+00  1.18D+00  1.10D+00
 E= -766.853808637576     Delta-E=       -0.000000000322 Rises=F Damp=F
 DIIS: error= 1.40D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -766.853808637576     IErMin=11 ErrMin= 1.40D-07
 ErrMax= 1.40D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-11 BMatP= 1.06D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.845D-05-0.208D-03-0.226D-03 0.108D-02 0.462D-02 0.482D-02
 Coeff-Com: -0.151D-01-0.673D-01-0.436D-01 0.397D+00 0.719D+00
 Coeff:      0.845D-05-0.208D-03-0.226D-03 0.108D-02 0.462D-02 0.482D-02
 Coeff:     -0.151D-01-0.673D-01-0.436D-01 0.397D+00 0.719D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=7.89D-08 MaxDP=2.62D-06 DE=-3.22D-10 OVMax= 3.42D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.78D-08    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.01D+00
                    CP:  9.93D-01  1.44D+00  1.30D+00  1.21D+00  1.17D+00
                    CP:  9.99D-01
 E= -766.853808637645     Delta-E=       -0.000000000069 Rises=F Damp=F
 DIIS: error= 3.74D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -766.853808637645     IErMin=12 ErrMin= 3.74D-08
 ErrMax= 3.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-12 BMatP= 3.15D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.450D-05-0.748D-04-0.907D-04 0.241D-03 0.133D-02 0.296D-02
 Coeff-Com: -0.906D-04-0.192D-01-0.347D-01 0.454D-02 0.209D+00 0.836D+00
 Coeff:      0.450D-05-0.748D-04-0.907D-04 0.241D-03 0.133D-02 0.296D-02
 Coeff:     -0.906D-04-0.192D-01-0.347D-01 0.454D-02 0.209D+00 0.836D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=3.05D-08 MaxDP=8.87D-07 DE=-6.91D-11 OVMax= 1.38D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.38D-08    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.01D+00
                    CP:  9.93D-01  1.44D+00  1.29D+00  1.21D+00  1.20D+00
                    CP:  1.08D+00  1.01D+00
 E= -766.853808637756     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 2.36D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -766.853808637756     IErMin=13 ErrMin= 2.36D-08
 ErrMax= 2.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.66D-13 BMatP= 2.36D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.568D-06-0.148D-05-0.387D-05-0.397D-04-0.707D-04 0.446D-03
 Coeff-Com:  0.159D-02 0.144D-02-0.712D-02-0.413D-01-0.223D-01 0.267D+00
 Coeff-Com:  0.800D+00
 Coeff:      0.568D-06-0.148D-05-0.387D-05-0.397D-04-0.707D-04 0.446D-03
 Coeff:      0.159D-02 0.144D-02-0.712D-02-0.413D-01-0.223D-01 0.267D+00
 Coeff:      0.800D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=4.55D-07 DE=-1.11D-10 OVMax= 6.54D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  7.48D-09    CP:  1.00D+00  1.09D+00  1.08D+00  1.15D+00  1.01D+00
                    CP:  9.93D-01  1.44D+00  1.29D+00  1.21D+00  1.20D+00
                    CP:  1.10D+00  1.09D+00  9.90D-01
 E= -766.853808637650     Delta-E=        0.000000000106 Rises=F Damp=F
 DIIS: error= 9.69D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -766.853808637756     IErMin=14 ErrMin= 9.69D-09
 ErrMax= 9.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.17D-14 BMatP= 3.66D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.520D-06 0.116D-04 0.138D-04-0.557D-04-0.244D-03-0.338D-03
 Coeff-Com:  0.504D-03 0.368D-02 0.307D-02-0.135D-01-0.457D-01-0.469D-01
 Coeff-Com:  0.286D+00 0.813D+00
 Coeff:     -0.520D-06 0.116D-04 0.138D-04-0.557D-04-0.244D-03-0.338D-03
 Coeff:      0.504D-03 0.368D-02 0.307D-02-0.135D-01-0.457D-01-0.469D-01
 Coeff:      0.286D+00 0.813D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=5.40D-09 MaxDP=2.49D-07 DE= 1.06D-10 OVMax= 3.48D-07

 SCF Done:  E(RwB97XD) =  -766.853808638     A.U. after   14 cycles
            NFock= 14  Conv=0.54D-08     -V/T= 2.0108
 KE= 7.586716127534D+02 PE=-4.055124335086D+03 EE= 1.393140535390D+03
 Leave Link  502 at Thu Aug 12 22:41:04 2021, MaxMem=  5368709120 cpu:            2278.5 elap:             285.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   461
 NBasis=   461 NAE=    61 NBE=    61 NFC=     0 NFV=     0
 NROrb=    461 NOA=    61 NOB=    61 NVA=   400 NVB=   400

 **** Warning!!: The largest alpha MO coefficient is  0.54901653D+02

 Leave Link  801 at Thu Aug 12 22:41:04 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         9463 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          31
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.07D-13 8.33D-09 XBig12= 1.00D+00 5.01D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.07D-13 8.33D-09 XBig12= 2.19D-01 1.01D-01.
     11 vectors produced by pass  2 Test12= 4.07D-13 8.33D-09 XBig12= 5.68D-02 1.08D-01.
     11 vectors produced by pass  3 Test12= 4.07D-13 8.33D-09 XBig12= 7.17D-03 3.42D-02.
     11 vectors produced by pass  4 Test12= 4.07D-13 8.33D-09 XBig12= 1.71D-03 1.46D-02.
     11 vectors produced by pass  5 Test12= 4.07D-13 8.33D-09 XBig12= 2.94D-04 4.70D-03.
     11 vectors produced by pass  6 Test12= 4.07D-13 8.33D-09 XBig12= 2.06D-05 1.54D-03.
     11 vectors produced by pass  7 Test12= 4.07D-13 8.33D-09 XBig12= 1.11D-06 1.78D-04.
     11 vectors produced by pass  8 Test12= 4.07D-13 8.33D-09 XBig12= 6.07D-08 3.42D-05.
     11 vectors produced by pass  9 Test12= 4.07D-13 8.33D-09 XBig12= 2.25D-09 5.58D-06.
     11 vectors produced by pass 10 Test12= 4.07D-13 8.33D-09 XBig12= 7.49D-11 1.09D-06.
     10 vectors produced by pass 11 Test12= 4.07D-13 8.33D-09 XBig12= 2.31D-12 2.16D-07.
      6 vectors produced by pass 12 Test12= 4.07D-13 8.33D-09 XBig12= 1.84D-13 3.50D-08.
      1 vectors produced by pass 13 Test12= 4.07D-13 8.33D-09 XBig12= 8.36D-14 1.57D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   138 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.289118D+03
      2 -0.116291D+02  0.174137D+03
      3 -0.982481D+01 -0.824564D+01  0.119333D+03
 Isotropic polarizability for W=    0.088559      194.20 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.309404D+03 -0.928496D+02 -0.134371D+02
      2  -0.136944D+03  0.750554D+02 -0.126958D+02
      3  -0.172460D+03  0.177942D+02  0.261328D+02
      4  -0.193431D+02  0.118888D+03 -0.412819D+02
      5   0.469337D+02 -0.498453D+02 -0.592535D+02
      6  -0.236629D+02  0.398836D+02  0.242336D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.100561D+02  0.192055D+02 -0.147863D+02
      2  -0.238848D+02 -0.124551D+02 -0.278743D+02
      3   0.487969D+02 -0.578714D+02  0.199365D+02
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.856342D+01  0.525794D+02 -0.643941D+01
      2  -0.603708D+02 -0.176189D+02  0.113206D+03
      3   0.735065D+02 -0.255832D+03  0.261824D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.159983D+01  0.195893D+00 -0.119253D+00
      2   0.195893D+00  0.535459D+00  0.360818D+01
      3  -0.119253D+00  0.360818D+01 -0.471001D+01
 OR G Eigenvalues:    -6.5526     1.5861     2.3918  Iso=     0.8582
 Eigenvectors:
   (1)   0.023939  -0.454048   0.890656
   (2)   0.988226  -0.123925  -0.089737
   (3)   0.151119   0.882317   0.445735
 w=    0.088559 a.u., Optical Rotation Beta=      0.8582 au.
 Molar Mass =    230.2628 grams/mole, [Alpha] ( 5145.0 A) =      189.00 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  106491 ScalPx= 5.85D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.72D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.78D-14 2.78D-09 XBig12= 1.00D+00 3.83D-01.
     30 vectors produced by pass  1 Test12= 6.78D-14 2.78D-09 XBig12= 7.04D-02 4.86D-02.
     30 vectors produced by pass  2 Test12= 6.78D-14 2.78D-09 XBig12= 5.51D-03 1.94D-02.
     30 vectors produced by pass  3 Test12= 6.78D-14 2.78D-09 XBig12= 1.48D-04 1.80D-03.
     30 vectors produced by pass  4 Test12= 6.78D-14 2.78D-09 XBig12= 7.73D-06 2.97D-04.
     30 vectors produced by pass  5 Test12= 6.78D-14 2.78D-09 XBig12= 1.82D-07 5.20D-05.
     30 vectors produced by pass  6 Test12= 6.78D-14 2.78D-09 XBig12= 2.83D-09 7.26D-06.
     30 vectors produced by pass  7 Test12= 6.78D-14 2.78D-09 XBig12= 3.77D-11 7.34D-07.
     30 vectors produced by pass  8 Test12= 6.78D-14 2.78D-09 XBig12= 4.74D-13 6.60D-08.
      6 vectors produced by pass  9 Test12= 6.78D-14 2.78D-09 XBig12= 4.30D-14 1.15D-08.
      5 vectors produced by pass 10 Test12= 6.78D-14 2.78D-09 XBig12= 6.09D-14 1.43D-08.
      4 vectors produced by pass 11 Test12= 6.78D-14 2.78D-09 XBig12= 5.35D-14 1.68D-08.
      1 vectors produced by pass 12 Test12= 6.78D-14 2.78D-09 XBig12= 1.45D-14 6.07D-09.
      1 vectors produced by pass 13 Test12= 6.78D-14 2.78D-09 XBig12= 1.54D-15 2.93D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   287 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.79D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  106491 ScalPx= 1.79D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  106491 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.14D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.289118D+03 -0.116291D+02 -0.982481D+01
      2  -0.116291D+02  0.174137D+03 -0.824564D+01
      3  -0.982481D+01 -0.824564D+01  0.119333D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.100561D+02  0.192055D+02 -0.147863D+02
      2  -0.238848D+02 -0.124551D+02 -0.278743D+02
      3   0.487969D+02 -0.578714D+02  0.199365D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.309404D+03 -0.928496D+02 -0.134371D+02
      2  -0.136944D+03  0.750554D+02 -0.126958D+02
      3  -0.172460D+03  0.177942D+02  0.261328D+02
      4  -0.193431D+02  0.118888D+03 -0.412819D+02
      5   0.469337D+02 -0.498453D+02 -0.592535D+02
      6  -0.236629D+02  0.398836D+02  0.242336D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.357660D+02  0.744146D+01  0.592922D+00 -0.365948D+02  0.114878D+02
      2   0.744146D+01 -0.342577D+01  0.691680D-01  0.114878D+02 -0.108541D+02
      3   0.592922D+00  0.691680D-01  0.112938D+00  0.760145D-01  0.111025D+01
                 6             7             8             9            10 
      1   0.760145D-01  0.922456D+01 -0.284893D+01 -0.818642D+00  0.435036D+02
      2   0.111025D+01 -0.284893D+01  0.179527D+01 -0.122082D+01 -0.998358D+01
      3   0.168742D-01 -0.818642D+00 -0.122082D+01  0.576207D+00 -0.737813D+00
                11            12            13            14            15 
      1  -0.998358D+01 -0.737813D+00  0.341444D+02 -0.100709D+02  0.242884D-01
      2   0.694525D+01 -0.686574D+00 -0.100709D+02  0.880999D+01 -0.811374D+00
      3  -0.686574D+00 -0.143710D+00  0.242884D-01 -0.811374D+00  0.110458D-01
                16            17            18            19            20 
      1  -0.895297D+01  0.282144D+01  0.150290D+01  0.322660D+02 -0.741015D+01
      2   0.282144D+01 -0.179843D+01  0.907008D+00 -0.741015D+01  0.517568D+01
      3   0.150290D+01  0.907008D+00 -0.370421D+00 -0.267189D+00 -0.643435D+00
                21            22            23            24            25 
      1  -0.267189D+00 -0.233505D+02  0.362086D+01 -0.105847D+00  0.299223D+01
      2  -0.643435D+00  0.362086D+01 -0.573227D+01 -0.856303D-01 -0.719782D+00
      3   0.162151D+00 -0.105847D+00 -0.856303D-01 -0.167488D+01 -0.106692D+01
                26            27            28            29            30 
      1  -0.719782D+00 -0.106692D+01 -0.430668D+02  0.590207D+01  0.377925D+00
      2  -0.361616D+00 -0.298431D+01  0.590207D+01 -0.305798D+01 -0.237082D+00
      3  -0.298431D+01  0.169766D+01  0.377925D+00 -0.237082D+00 -0.207465D+01
                31            32            33            34            35 
      1   0.121166D+02 -0.122371D+01 -0.155491D+01 -0.487141D+01 -0.969692D+00
      2  -0.122371D+01  0.100458D+02 -0.153494D+01 -0.969692D+00 -0.951672D+00
      3  -0.155491D+01 -0.153494D+01  0.420655D+00 -0.654947D+01  0.121394D+01
                36            37            38            39            40 
      1  -0.654947D+01 -0.217643D+01 -0.910497D+00  0.307950D+00  0.997627D+01
      2   0.121394D+01 -0.910497D+00 -0.966131D+01  0.166755D+01 -0.266588D+01
      3   0.190247D+00  0.307950D+00  0.166755D+01 -0.179042D+01 -0.439639D+00
                41            42            43            44            45 
      1  -0.266588D+01 -0.439639D+00 -0.213523D+01 -0.214883D+00 -0.483326D+01
      2  -0.164244D+01  0.135960D+01 -0.214883D+00  0.220353D+01  0.313819D+01
      3   0.135960D+01  0.129966D+01 -0.483326D+01  0.313819D+01 -0.863158D+00
                46            47            48            49            50 
      1   0.776751D+01 -0.147420D+01 -0.447107D-01  0.415839D+00 -0.132756D+01
      2  -0.147420D+01  0.749822D+01 -0.590175D+00 -0.132756D+01  0.252389D+00
      3  -0.447107D-01 -0.590175D+00  0.167781D+01  0.591524D+00  0.976931D+00
                51            52            53            54            55 
      1   0.591524D+00 -0.227163D+00  0.748580D+00  0.136394D+01 -0.130779D+02
      2   0.976931D+00  0.748580D+00  0.965108D+00  0.372786D+01  0.357788D+01
      3   0.777293D+00  0.136394D+01  0.372786D+01 -0.181072D+01  0.116073D-01
                56            57            58            59            60 
      1   0.357788D+01  0.116073D-01  0.380615D+01 -0.403696D+00 -0.683679D+00
      2  -0.101599D+02  0.115372D+01 -0.403696D+00  0.133293D+01 -0.109939D+01
      3   0.115372D+01 -0.164571D+01 -0.683679D+00 -0.109939D+01 -0.792716D+00
                61            62            63            64            65 
      1  -0.263145D+00 -0.787333D+00 -0.175583D+01 -0.245906D+01 -0.230036D+01
      2  -0.787333D+00 -0.823977D+00 -0.333107D+01 -0.230036D+01 -0.141271D+01
      3  -0.175583D+01 -0.333107D+01  0.188544D+01  0.550311D+00  0.318311D+00
                66            67            68            69            70 
      1   0.550311D+00 -0.315956D+01 -0.283151D+01  0.716694D+00  0.812562D+00
      2   0.318311D+00 -0.283151D+01 -0.495597D+01  0.992796D+00  0.664898D+00
      3  -0.456881D+00  0.716694D+00  0.992796D+00 -0.988573D+00 -0.231825D+00
                71            72            73            74            75 
      1   0.664898D+00 -0.231825D+00 -0.444562D+01  0.308524D+01 -0.234024D+00
      2   0.959375D+00 -0.290016D+00  0.308524D+01 -0.332416D+01  0.342938D+00
      3  -0.290016D+00  0.254202D+00 -0.234024D+00  0.342938D+00 -0.370673D+00
                76            77            78            79            80 
      1   0.339929D+01 -0.443773D+01  0.656662D+00 -0.256369D+00  0.690196D+00
      2  -0.443773D+01  0.766139D+01 -0.869226D+00  0.690196D+00 -0.108581D+01
      3   0.656662D+00 -0.869226D+00  0.863025D+00  0.399611D+00  0.268572D+00
                81            82            83            84            85 
      1   0.399611D+00  0.174156D+01  0.212088D+01 -0.476390D+00  0.113115D+01
      2   0.268572D+00  0.212088D+01  0.310470D+01 -0.632350D+00  0.244836D+01
      3  -0.214272D+00 -0.476390D+00 -0.632350D+00  0.482293D+00 -0.448576D+00
                86            87            88            89            90 
      1   0.244836D+01 -0.448576D+00 -0.320600D+00 -0.534518D+00  0.141930D+00
      2   0.872087D+01 -0.156212D+01 -0.534518D+00 -0.179245D+01  0.418161D+00
      3  -0.156212D+01  0.112252D+01  0.141930D+00  0.418161D+00 -0.275495D+00
                91            92            93            94            95 
      1   0.135020D+02 -0.162952D+01  0.338237D+00  0.376975D+01  0.946815D+00
      2  -0.162952D+01  0.148858D+01  0.687777D+00  0.946815D+00 -0.348067D+01
      3   0.338237D+00  0.687777D+00  0.289862D+01  0.371343D+00  0.175732D+01
                96            97            98            99           100 
      1   0.371343D+00 -0.233003D+01  0.113784D+01  0.742185D+01  0.814641D+01
      2   0.175732D+01  0.113784D+01  0.160800D+01 -0.313193D-02 -0.621763D+00
      3   0.112151D+01  0.742185D+01 -0.313193D-02 -0.166567D+01 -0.167074D+01
               101           102           103           104           105 
      1  -0.621763D+00 -0.167074D+01 -0.206783D+01 -0.164449D+01 -0.721079D-01
      2  -0.166368D+01 -0.507101D+00 -0.164449D+01  0.143316D+01 -0.335582D+01
      3  -0.507101D+00 -0.240016D+01 -0.721079D-01 -0.335582D+01 -0.145369D+01
               106           107           108           109           110 
      1   0.531454D+01 -0.854434D+00 -0.506285D+01  0.651671D+01  0.338904D+01
      2  -0.854434D+00 -0.235944D+01 -0.656299D+00  0.338904D+01  0.116605D+01
      3  -0.506285D+01 -0.656299D+00  0.269478D+01 -0.130512D+01 -0.287916D+00
               111           112           113           114           115 
      1  -0.130512D+01  0.102085D+01  0.136203D+01 -0.866407D+00 -0.680423D+01
      2  -0.287916D+00  0.136203D+01  0.738690D+00 -0.832039D+00 -0.110046D+01
      3  -0.890194D+00 -0.866407D+00 -0.832039D+00 -0.256448D+00 -0.358866D+01
               116           117           118           119           120 
      1  -0.110046D+01 -0.358866D+01 -0.460530D+00  0.201325D+01 -0.648782D+00
      2  -0.138618D+01 -0.537707D-01  0.201325D+01 -0.178806D+01  0.105566D-01
      3  -0.537707D-01  0.194172D+00 -0.648782D+00  0.105566D-01 -0.113489D+01
               121           122           123           124           125 
      1   0.415956D+01 -0.216166D+01  0.190431D+00 -0.122490D+01  0.120418D+00
      2  -0.216166D+01  0.581677D+01 -0.935923D+00  0.120418D+00 -0.127718D+01
      3   0.190431D+00 -0.935923D+00  0.138739D+01 -0.140487D+01  0.102934D+01
               126           127           128           129           130 
      1  -0.140487D+01  0.137143D+00 -0.624047D+00  0.189235D+00 -0.201601D+01
      2   0.102934D+01 -0.624047D+00  0.771391D+00 -0.274562D+00  0.529366D-01
      3  -0.436546D+00  0.189235D+00 -0.274562D+00  0.121107D+01  0.580352D+00
               131           132           133           134           135 
      1   0.529366D-01  0.580352D+00  0.271379D+00  0.108680D+00  0.244865D+00
      2  -0.393347D+01  0.214999D+01  0.108680D+00  0.150497D+01 -0.118954D+01
      3   0.214999D+01 -0.265348D+01  0.244865D+00 -0.118954D+01  0.172190D+01
               136           137           138           139           140 
      1  -0.145757D+02  0.747096D+00  0.351202D+01  0.395304D+00 -0.112493D+01
      2   0.747096D+00 -0.892271D+00 -0.284234D+00 -0.112493D+01  0.337663D-01
      3   0.351202D+01 -0.284234D+00 -0.241649D+01 -0.212560D+00  0.629068D+00
               141           142           143           144           145 
      1  -0.212560D+00  0.124986D+01  0.609762D-01 -0.116373D+01  0.321422D-01
      2   0.629068D+00  0.609762D-01  0.111539D+00  0.705798D-01  0.777268D+00
      3   0.141485D+00 -0.116373D+01  0.705798D-01  0.277667D+00  0.706759D+00
               146           147           148           149           150 
      1   0.777268D+00  0.706759D+00  0.149785D+01  0.164511D+00 -0.297292D+00
      2   0.101471D+01  0.804265D+00  0.164511D+00  0.297582D+01  0.271455D+01
      3   0.804265D+00  0.195350D+01 -0.297292D+00  0.271455D+01  0.357160D+01
               151           152           153           154           155 
      1   0.352186D+00  0.455239D-01  0.263693D+00 -0.173196D+02 -0.447198D+01
      2   0.455239D-01  0.207193D+01  0.228566D+01 -0.447198D+01 -0.267982D+01
      3   0.263693D+00  0.228566D+01  0.429785D+01  0.553545D+00 -0.301191D+00
               156           157           158           159           160 
      1   0.553545D+00 -0.733380D+01 -0.526517D+01  0.315029D+00  0.888072D+00
      2  -0.301191D+00 -0.526517D+01 -0.402061D+01  0.350839D+00  0.441100D+00
      3  -0.266028D+01  0.315029D+00  0.350839D+00 -0.127352D+01 -0.233619D+01
               161           162           163           164           165 
      1   0.441100D+00 -0.233619D+01 -0.108925D+02 -0.256105D+01 -0.313870D+01
      2   0.940667D+00 -0.103093D+01 -0.256105D+01 -0.253650D+00  0.572569D-02
      3  -0.103093D+01  0.133947D+01 -0.313870D+01  0.572569D-02 -0.113990D+01
               166           167           168           169           170 
      1  -0.570345D+01 -0.740593D+00 -0.948232D+00 -0.154416D+00  0.124678D+00
      2  -0.740593D+00 -0.799145D+00 -0.164646D+01  0.124678D+00 -0.480979D+00
      3  -0.948232D+00 -0.164646D+01 -0.195854D+01 -0.869844D+00 -0.105391D+01
               171           172           173           174           175 
      1  -0.869844D+00  0.102832D+02  0.224441D+01  0.152685D+01  0.698792D+01
      2  -0.105391D+01  0.224441D+01  0.649098D+00  0.396245D+00  0.933550D+00
      3  -0.704672D+01  0.152685D+01  0.396245D+00  0.274674D+01  0.138517D+01
               176           177           178           179           180 
      1   0.933550D+00  0.138517D+01  0.508861D+01  0.613701D+00  0.234025D+01
      2   0.367982D+00 -0.425520D+00  0.613701D+00 -0.865931D+00  0.569000D+00
      3  -0.425520D+00  0.150392D+01  0.234025D+01  0.569000D+00 -0.740450D+00
               181           182           183           184           185 
      1   0.111912D+02 -0.389861D+00 -0.315871D+00 -0.765486D+01  0.257608D+01
      2  -0.389861D+00  0.107380D+02 -0.198847D+01  0.257608D+01  0.344123D+01
      3  -0.315871D+00 -0.198847D+01  0.188546D+01  0.711448D+00 -0.170298D+01
               186           187           188           189           190 
      1   0.711448D+00  0.124815D+01  0.124703D+00  0.447881D+01  0.323694D+02
      2  -0.170298D+01  0.124703D+00 -0.262335D+01 -0.306406D+01 -0.568005D+01
      3  -0.965707D+00  0.447881D+01 -0.306406D+01  0.756503D+00 -0.331780D+00
               191           192           193           194           195 
      1  -0.568005D+01 -0.331780D+00 -0.198654D+02  0.179074D+01  0.204508D+01
      2   0.504986D+01 -0.178852D+00  0.179074D+01 -0.144203D+02  0.213137D+01
      3  -0.178852D+00  0.276062D+01  0.204508D+01  0.213137D+01 -0.135296D+01
               196           197           198           199           200 
      1   0.236520D+01  0.108436D+01  0.603989D+01 -0.356315D+02  0.878492D+01
      2   0.108436D+01  0.161976D+01 -0.219450D+01  0.878492D+01 -0.858312D+01
      3   0.603989D+01 -0.219450D+01 -0.890879D-01  0.611141D+00  0.138983D+01
               201           202           203           204           205 
      1   0.611141D+00  0.236419D+02 -0.318271D+01 -0.683141D+00 -0.184578D+01
      2   0.138983D+01 -0.318271D+01  0.730372D+01 -0.824062D-01  0.302585D+00
      3  -0.563373D-01 -0.683141D+00 -0.824062D-01  0.203018D+01  0.396588D+00
               206           207           208           209           210 
      1   0.302585D+00  0.396588D+00 -0.651492D+01  0.335968D-01  0.348351D+00
      2   0.643542D+00  0.360770D+01  0.335968D-01 -0.182501D+01  0.301112D+00
      3   0.360770D+01 -0.180503D+01  0.348351D+00  0.301112D+00 -0.250481D-01
               211           212           213           214           215 
      1  -0.690559D+00  0.157926D+01 -0.962423D-01  0.594476D+00 -0.258213D+00
      2   0.157926D+01 -0.206360D+01  0.339451D+00 -0.258213D+00  0.325950D+00
      3  -0.962423D-01  0.339451D+00  0.802653D+00  0.428374D+00 -0.566704D+00
               216           217           218           219           220 
      1   0.428374D+00 -0.183057D+01  0.211657D+01 -0.249571D+00  0.393266D+01
      2  -0.566704D+00  0.211657D+01  0.213350D+01 -0.604343D+00 -0.114900D+01
      3  -0.196714D-01 -0.249571D+00 -0.604343D+00  0.128406D+01 -0.653303D+00
               221           222           223           224           225 
      1  -0.114900D+01 -0.653303D+00 -0.744377D+00 -0.428847D+00 -0.105276D+01
      2   0.209565D+00 -0.167525D+01 -0.428847D+00 -0.157146D+01 -0.328000D+01
      3  -0.167525D+01 -0.506571D+01 -0.105276D+01 -0.328000D+01  0.235496D+01
               226           227           228           229           230 
      1  -0.142583D+01 -0.172369D+01  0.409729D+00 -0.661826D+00 -0.195224D+01
      2  -0.172369D+01 -0.315258D+01  0.628530D+00 -0.195224D+01 -0.842392D+01
      3   0.409729D+00  0.628530D+00 -0.477356D+00  0.391185D+00  0.150041D+01
               231           232           233           234           235 
      1   0.391185D+00  0.256401D+00  0.490484D+00  0.128292D+00  0.475491D+01
      2   0.150041D+01  0.490484D+00  0.164838D+01 -0.535775D+00 -0.373359D+01
      3  -0.113199D+01  0.128292D+00 -0.535775D+00  0.297111D+00  0.378833D+00
               236           237           238           239           240 
      1  -0.373359D+01  0.378833D+00 -0.436072D+01  0.519833D+01 -0.779815D+00
      2   0.391865D+01 -0.397320D+00  0.519833D+01 -0.796078D+01  0.902934D+00
      3  -0.397320D+00  0.555564D+00 -0.779815D+00  0.902934D+00 -0.988036D+00
               241           242           243           244           245 
      1   0.407880D+00 -0.729847D+00 -0.237887D+00  0.324816D+01  0.255374D+01
      2  -0.729847D+00  0.105406D+01 -0.351728D+00  0.255374D+01  0.140925D+01
      3  -0.237887D+00 -0.351728D+00  0.267708D+00 -0.650441D+00 -0.394110D+00
               246           247           248           249           250 
      1  -0.650441D+00  0.373231D+01  0.296008D+01 -0.730964D+00 -0.887748D+00
      2  -0.394110D+00  0.296008D+01  0.509348D+01 -0.103560D+01 -0.703823D+00
      3   0.321799D+00 -0.730964D+00 -0.103560D+01  0.813724D+00  0.258781D+00
               251           252           253           254           255 
      1  -0.703823D+00  0.258781D+00 -0.835228D+00 -0.370031D+00 -0.525717D+00
      2  -0.106113D+01  0.988072D-01 -0.370031D+00 -0.220277D+00  0.885779D-01
      3   0.988072D-01 -0.134177D+00 -0.525717D+00  0.885779D-01 -0.100786D+01
               256           257           258           259           260 
      1   0.550135D+00  0.122968D+01 -0.843694D+00 -0.355533D+01 -0.128038D+01
      2   0.122968D+01  0.140160D+01 -0.143433D+01 -0.128038D+01 -0.143162D+01
      3  -0.843694D+00 -0.143433D+01  0.238293D+01  0.250121D+01  0.208648D+01
               261           262           263           264           265 
      1   0.250121D+01  0.150868D+02 -0.101971D+01 -0.666735D+00 -0.338121D+01
      2   0.208648D+01 -0.101971D+01  0.102091D+01  0.110452D+00  0.140623D+01
      3  -0.622041D+01 -0.666735D+00  0.110452D+00  0.117762D+01  0.235521D+00
               266           267           268           269           270 
      1   0.140623D+01  0.235521D+00 -0.244981D+00  0.992909D-01  0.145401D+01
      2  -0.761207D+00  0.590032D-01  0.992909D-01  0.139226D+00  0.150488D+00
      3   0.590032D-01 -0.163989D+00  0.145401D+01  0.150488D+00 -0.326392D+00
               271           272           273           274           275 
      1  -0.685906D-01  0.116670D+00  0.848168D+00  0.216262D+01  0.242455D+01
      2   0.116670D+00  0.164400D-01  0.329567D-01  0.242455D+01  0.340926D+01
      3   0.848168D+00  0.329567D-01 -0.539666D+00  0.112566D+01  0.211447D+01
               276           277           278           279 
      1   0.112566D+01  0.375255D+01  0.175169D+01  0.160775D+01
      2   0.211447D+01  0.175169D+01  0.227991D+01  0.223477D+01
      3   0.245377D+01  0.160775D+01  0.223477D+01  0.321234D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.331863D+01  0.194142D+01 -0.581087D+00  0.356914D+01 -0.185089D+01
      2   0.732244D+01  0.331963D+01 -0.581407D+00  0.780866D+01 -0.519086D+01
      3   0.872566D+01  0.223892D+02 -0.502743D+01  0.250730D+02 -0.227246D+02
                 6             7             8             9            10 
      1   0.106122D+00 -0.522543D+01  0.866464D+01 -0.147898D+01 -0.529369D+00
      2   0.202336D+01 -0.194464D+02  0.319186D+01  0.231751D+00 -0.429013D+01
      3   0.257566D+01 -0.135890D+01  0.159965D+01  0.249611D+00  0.306598D+02
                11            12            13            14            15 
      1   0.300725D+01 -0.107848D+01 -0.100867D+01  0.868651D+00  0.454024D+00
      2   0.434879D+01 -0.505302D+01 -0.380152D-01 -0.391753D+01  0.925765D+00
      3   0.177158D+02 -0.436409D+01  0.495995D+02 -0.329489D+02  0.325926D+01
                16            17            18            19            20 
      1  -0.525550D+01  0.882654D+01 -0.139893D+01 -0.398003D+01 -0.485514D+00
      2  -0.184063D+02  0.308144D+01  0.859254D+00 -0.843157D+01 -0.280815D+01
      3  -0.719963D+01  0.409431D+01  0.526688D+00 -0.542943D+01 -0.237547D+02
                21            22            23            24            25 
      1   0.408532D+00 -0.224933D+00  0.646779D-01 -0.112329D+01 -0.774724D+01
      2   0.666331D+00  0.115494D+01  0.207509D+01  0.865027D+00 -0.178553D+02
      3   0.509655D+01 -0.370968D+01  0.562911D+01 -0.195948D+01  0.582160D+01
                26            27            28            29            30 
      1   0.422142D+01 -0.108957D+01  0.766798D+00  0.146432D+01  0.397444D+00
      2   0.837246D+01 -0.896576D+00  0.528398D+01  0.149602D+01  0.825922D+00
      3  -0.206792D+01 -0.112575D+01 -0.206804D+02  0.106614D+02 -0.131253D+01
                31            32            33            34            35 
      1   0.468059D+01  0.359860D+01  0.634345D+00  0.396877D+01  0.124384D+02
      2   0.582245D+00  0.233445D-01  0.553928D+00 -0.107623D+02  0.780904D+00
      3   0.272412D+02 -0.251676D+01 -0.146888D+01 -0.268618D+01 -0.240715D+01
                36            37            38            39            40 
      1  -0.182983D+01  0.223603D+00 -0.272143D+00  0.447100D+01  0.153366D+01
      2   0.101277D+01 -0.258673D+01 -0.565769D+00  0.443314D+00 -0.262748D+01
      3  -0.247928D+01 -0.825854D+01 -0.132030D+01 -0.169854D+00  0.116371D+02
                41            42            43            44            45 
      1  -0.888929D+00 -0.232757D+01  0.163382D+02  0.135042D+01 -0.345485D+00
      2  -0.277676D+01 -0.148108D+01 -0.109010D+02 -0.643420D+01  0.242648D+01
      3  -0.632251D+01  0.137226D+00 -0.270299D+01  0.130034D+01 -0.548176D+01
                46            47            48            49            50 
      1  -0.828897D+00 -0.186165D+01 -0.435286D+01 -0.241727D+01  0.665585D+00
      2   0.236977D+01 -0.349495D+01  0.196349D+01 -0.438286D+01  0.501425D+01
      3   0.205927D+02 -0.234692D+02  0.373405D+01 -0.590762D+01  0.232753D+02
                51            52            53            54            55 
      1  -0.218446D+01 -0.115441D+02 -0.234130D+01  0.290410D+01  0.142238D+01
      2  -0.916094D+00 -0.149915D+02  0.205439D+01  0.102556D+01  0.583595D+01
      3  -0.291393D+01  0.355831D+01 -0.240416D+01  0.522080D+01  0.306065D+02
                56            57            58            59            60 
      1  -0.355459D+01 -0.412573D+01 -0.245009D+01  0.129270D+01 -0.161518D+01
      2  -0.345105D+01 -0.281125D+01 -0.550123D+01  0.367377D+01 -0.208791D+01
      3  -0.116364D+02  0.211490D+01 -0.531193D+01  0.237147D+02 -0.133149D+01
                61            62            63            64            65 
      1  -0.118690D+02 -0.192826D+01  0.196501D+01 -0.238505D+00 -0.542501D+00
      2  -0.202365D+02 -0.174360D+01  0.502338D+01  0.112102D+01  0.715536D+00
      3   0.473620D+01 -0.927729D+00  0.126446D+02  0.180129D+01 -0.250763D+00
                66            67            68            69            70 
      1  -0.164282D+01 -0.727646D+00 -0.146760D+01 -0.279120D+01 -0.703905D+00
      2   0.543409D+00  0.116941D+01 -0.671539D-01  0.184080D+01 -0.227202D+01
      3  -0.593503D-02  0.340173D+01 -0.507528D+01  0.846599D+00 -0.342326D+00
                71            72            73            74            75 
      1   0.221401D+01  0.409553D+00 -0.248216D+00  0.167431D+00  0.216565D+01
      2  -0.841132D+00  0.818160D-02 -0.684839D+00 -0.126560D+00  0.132013D+01
      3   0.909813D+00  0.560813D+00 -0.806197D+01  0.145326D+01 -0.826085D-02
                76            77            78            79            80 
      1  -0.109467D+01  0.782643D+00 -0.405159D+01 -0.285111D+01  0.158084D+01
      2  -0.384604D+00  0.664474D+00 -0.229268D+01 -0.167391D+01 -0.862643D-01
      3   0.405401D+01  0.148214D+01  0.373410D+00  0.419959D+00 -0.437019D+00
                81            82            83            84            85 
      1   0.495379D+00  0.795108D+00  0.510983D+00 -0.207470D+01  0.710199D+00
      2   0.489742D+00  0.983020D+00  0.439460D+00  0.102470D+01  0.729571D+00
      3   0.116763D+01  0.690197D+01  0.296784D+01 -0.115108D+01  0.532578D+01
                86            87            88            89            90 
      1   0.130721D+01 -0.456036D+01  0.122024D+01  0.187178D+01  0.458269D+00
      2   0.649682D+00  0.144140D+01 -0.922521D+00  0.443668D+00 -0.590120D+00
      3   0.352655D+01 -0.115360D+01 -0.131834D+01 -0.127028D+01 -0.602155D+00
                91            92            93            94            95 
      1   0.255921D+01  0.874547D+00 -0.168490D+01  0.482652D+01 -0.511271D+00
      2  -0.617887D+01 -0.181871D+01 -0.599185D+01 -0.238095D+01 -0.806759D+01
      3   0.104937D+02 -0.526316D+00  0.238403D+01  0.189052D+02 -0.179951D+02
                96            97            98            99           100 
      1  -0.223317D+01 -0.264414D+01  0.502237D+01  0.119376D+01  0.140934D+01
      2  -0.257119D+01 -0.320943D+02 -0.547771D-01  0.383106D+01 -0.113285D+02
      3   0.729306D+01  0.308468D+00  0.104265D+02  0.769710D+01  0.809831D+00
               101           102           103           104           105 
      1  -0.586865D+01  0.495221D+00 -0.262792D+01  0.414191D+01 -0.107750D+02
      2   0.197902D+01  0.165938D+02 -0.501566D+00  0.177923D+02  0.595385D+01
      3  -0.132127D+02 -0.110648D+01 -0.831673D+01  0.816625D+01 -0.147164D+02
               106           107           108           109           110 
      1   0.287566D+01 -0.542235D+01 -0.500925D+01 -0.381598D+01  0.109797D+01
      2   0.159954D+02  0.274166D+01 -0.438406D+01  0.120129D+02  0.449600D+01
      3   0.490799D+01 -0.138552D+02 -0.708146D+01 -0.589778D+01  0.952636D+01
               111           112           113           114           115 
      1   0.921557D+01 -0.906904D+01 -0.664173D+01 -0.797247D+01  0.859045D+01
      2   0.244063D+01  0.622548D+01  0.385356D+01 -0.902577D+01  0.617758D+01
      3  -0.668070D+01  0.949939D+01  0.167446D+02 -0.217673D+01 -0.131412D+02
               116           117           118           119           120 
      1  -0.752128D-01  0.560391D+01  0.119475D+01 -0.942199D+00  0.103982D+01
      2  -0.241344D+01  0.250613D+01  0.274522D+01 -0.871267D+00  0.481194D+01
      3  -0.582967D+01 -0.397833D+01  0.871057D+01 -0.601763D+01 -0.290369D+00
               121           122           123           124           125 
      1  -0.123245D+01  0.227391D+01 -0.304843D+01  0.912573D+00 -0.347848D+00
      2  -0.156085D+01  0.448619D+01 -0.508835D+01  0.285032D+01 -0.338242D+01
      3  -0.643405D+00  0.202989D+02 -0.358658D+01 -0.114476D+01 -0.505873D+01
               126           127           128           129           130 
      1   0.625417D+00 -0.246280D+01  0.267489D+01 -0.492656D+00  0.105339D+01
      2   0.183570D+01 -0.285419D+01  0.286949D+01 -0.440370D+01  0.279428D+01
      3   0.230612D+01 -0.461654D+01  0.380550D+01 -0.123356D+01  0.338246D+01
               131           132           133           134           135 
      1  -0.106313D+02  0.326695D+01  0.645938D-01  0.486061D+01 -0.262525D+01
      2  -0.969865D+01  0.914296D+01 -0.219180D+01  0.438527D+01 -0.691603D+01
      3  -0.166253D+02  0.883319D+01  0.449981D+00  0.567700D+01 -0.485602D+01
               136           137           138           139           140 
      1  -0.138351D+01 -0.260619D+01  0.810103D+00 -0.212916D+01 -0.772825D+00
      2   0.108660D+02  0.106759D-01  0.745200D+01  0.147705D+00 -0.669488D+00
      3  -0.449121D+01 -0.608710D+01  0.617292D+00 -0.334655D+01 -0.811629D+00
               141           142           143           144           145 
      1   0.237974D+00 -0.717625D-02  0.124571D+01 -0.307413D-01  0.169424D+01
      2  -0.236280D-01  0.124523D+01  0.459501D+00  0.127538D+01 -0.485545D+01
      3   0.217866D+01 -0.554095D+00  0.242166D+01 -0.613839D+00  0.353087D+01
               146           147           148           149           150 
      1   0.302118D+01  0.195942D+00  0.180053D+01  0.578330D+01  0.213849D+01
      2  -0.454116D+01 -0.810325D+01 -0.283156D+01 -0.114005D+02 -0.130855D+02
      3   0.440424D+01  0.306921D+01  0.374790D+01  0.108088D+02  0.963201D+01
               151           152           153           154           155 
      1  -0.148777D+00  0.493723D+01  0.235380D+01  0.376877D+01  0.824968D+00
      2  -0.438335D+01 -0.918864D+01 -0.164910D+02 -0.111431D+02 -0.141996D+01
      3   0.218232D+00  0.753171D+01  0.852260D+01 -0.826934D+01 -0.212935D+02
               156           157           158           159           160 
      1  -0.583703D+01  0.654183D+01  0.429497D+01 -0.340229D+01 -0.338253D+01
      2   0.200761D+02 -0.120032D+01 -0.445629D+01  0.110371D+02  0.643558D+01
      3  -0.217729D+00 -0.172424D+02 -0.228349D+02  0.689364D+00  0.317985D+01
               161           162           163           164           165 
      1   0.150796D+01  0.136456D+01  0.530669D+01  0.247398D+01 -0.253166D+01
      2   0.368172D+01 -0.848366D+01 -0.108937D+02 -0.461099D+01  0.232989D+01
      3   0.375840D+01 -0.272439D+01 -0.734756D+01 -0.381696D+01  0.955448D+00
               166           167           168           169           170 
      1   0.716444D+01  0.421934D+01  0.213286D+01 -0.596906D+00  0.703013D+01
      2  -0.851737D+01  0.479028D+01  0.776465D+01 -0.337847D+01  0.322216D+01
      3  -0.246697D+00 -0.436644D+01 -0.851984D+01  0.404774D+01 -0.230899D+01
               171           172           173           174           175 
      1  -0.258630D+01 -0.718254D+01 -0.323459D+01  0.337591D+00 -0.842869D+01
      2   0.226661D+02  0.201174D+02  0.355316D+01 -0.681311D+01  0.792471D+01
      3  -0.356459D+01  0.291342D+01  0.251617D+01  0.206269D+01  0.812770D+01
               176           177           178           179           180 
      1  -0.271819D+01 -0.181577D+01 -0.371117D+00 -0.115604D+00 -0.885736D+00
      2   0.338077D+01 -0.405301D+01 -0.326544D+01 -0.103800D+01  0.468011D+01
      3   0.107619D+01  0.657848D+00  0.226104D+01  0.794771D+00  0.106060D+01
               181           182           183           184           185 
      1  -0.423333D+00  0.199085D+01  0.425671D+01  0.274177D+01 -0.799894D+00
      2  -0.667261D+01 -0.247194D+01  0.574804D+01 -0.930423D+00 -0.745056D+01
      3  -0.278658D+02 -0.145731D+02  0.311292D+01 -0.987968D+01 -0.253279D+02
               186           187           188           189           190 
      1  -0.229006D+01  0.152378D+02  0.370177D+01 -0.230746D+01 -0.111505D+01
      2  -0.791594D+00 -0.215958D+01 -0.101793D+02  0.105914D+01 -0.423436D+01
      3   0.547945D+01  0.287157D+01  0.701603D+01 -0.276369D+01  0.903740D+01
               191           192           193           194           195 
      1   0.318146D+01 -0.424754D+00  0.281213D+01  0.183733D+01  0.268782D+01
      2   0.419837D+01 -0.122445D+01  0.114435D+02  0.216778D+01 -0.277876D+01
      3   0.205312D+02 -0.388160D+01  0.430570D+02  0.198230D+02 -0.543598D+01
               196           197           198           199           200 
      1  -0.303218D+01  0.135449D+02 -0.294168D+01 -0.211057D+00 -0.209309D+01
      2  -0.856690D+00 -0.538452D+01  0.117119D+01  0.719565D+00 -0.168238D+01
      3  -0.810794D+01 -0.404243D+01  0.601232D+01 -0.262665D+02 -0.106400D+02
               201           202           203           204           205 
      1   0.323493D+00 -0.181407D+01  0.137801D+01 -0.296622D+01 -0.427542D+01
      2   0.397937D+01 -0.722844D+01  0.396750D+01  0.347554D+01 -0.165428D+02
      3   0.246505D+01 -0.171810D+00 -0.142033D+01 -0.173335D+01  0.461320D+01
               206           207           208           209           210 
      1   0.397942D+01  0.183552D+00  0.114135D+01 -0.280866D+01  0.731979D+00
      2   0.153148D+02 -0.429930D+01  0.363274D+01 -0.485822D+01  0.123680D+02
      3  -0.375233D+01 -0.765927D+01  0.964053D+01 -0.377109D+02  0.413484D+01
               211           212           213           214           215 
      1   0.461082D+00 -0.770050D+00 -0.541790D+01  0.252107D+01 -0.968916D+00
      2  -0.180332D+00  0.227977D+01  0.521810D+01 -0.499705D+01 -0.354302D+01
      3   0.866978D+00  0.119157D+02 -0.267501D+01  0.114972D+00  0.148561D+01
               216           217           218           219           220 
      1   0.101015D+01 -0.137440D+01  0.416407D+00 -0.983113D+00  0.231623D+01
      2  -0.623394D+00 -0.600302D+01 -0.138043D+01  0.721831D+01 -0.334593D+01
      3   0.153268D+01 -0.331816D+02 -0.291531D+01  0.364580D+01  0.636185D+01
               221           222           223           224           225 
      1   0.339502D+01  0.515838D+01  0.965909D+01  0.635820D+01 -0.147529D+01
      2  -0.672170D+01 -0.307759D+02 -0.628072D+01 -0.198998D+02  0.147735D+02
      3   0.175335D+02  0.710985D+01  0.384648D+01  0.559587D+01  0.250428D+02
               226           227           228           229           230 
      1   0.252584D+00 -0.298154D+00 -0.196778D+01  0.653653D-01 -0.809446D+00
      2   0.195898D+01  0.174707D+01 -0.103732D+00  0.142327D+01  0.356219D+01
      3   0.909004D+01  0.749407D+01 -0.197808D+01  0.696720D+01  0.174839D+02
               231           232           233           234           235 
      1  -0.415079D+01  0.145531D+01  0.193922D+01  0.374105D+00 -0.719952D+00
      2  -0.623914D+00 -0.328904D+00 -0.109008D+01 -0.135207D-01 -0.841085D+00
      3  -0.357785D+01 -0.213856D+01 -0.379273D+01  0.122518D+00 -0.304579D+00
               236           237           238           239           240 
      1   0.801798D+00  0.217112D+01 -0.172105D+00 -0.897808D+00 -0.373981D+01
      2   0.151614D-01  0.255218D+01 -0.100436D+01  0.108392D+01 -0.394338D+01
      3  -0.545316D+01  0.536253D+00 -0.551812D+01  0.157559D+02 -0.123476D+01
               241           242           243           244           245 
      1  -0.273891D+01  0.123793D+01  0.567575D+00  0.284198D+00 -0.317981D-01
      2  -0.229257D+01 -0.112770D+01  0.123227D+01 -0.565109D+00 -0.816147D+00
      3   0.179542D+01 -0.202619D+01  0.184309D+01 -0.463699D+00 -0.250941D+01
               246           247           248           249           250 
      1  -0.107755D+01  0.208245D+00 -0.275038D+00 -0.265663D+01 -0.431988D+00
      2   0.107858D+01 -0.849662D+00 -0.276302D+01  0.292353D+01 -0.102993D+01
      3   0.458541D+00 -0.813874D+00 -0.132991D+02  0.236285D+01  0.500760D+00
               251           252           253           254           255 
      1   0.143973D+01  0.365928D+00 -0.185297D+00  0.652515D+00  0.137925D+01
      2  -0.840318D+00 -0.109739D+00 -0.541180D+01  0.806541D+00 -0.529644D+01
      3   0.284395D+01  0.323122D+00  0.869966D+00  0.306777D+01 -0.227439D+01
               256           257           258           259           260 
      1  -0.244988D+00 -0.297323D+00 -0.209906D+01 -0.192409D+01  0.143772D+01
      2  -0.349458D+01 -0.778728D+01  0.135286D+02  0.769831D+01  0.120035D+02
      3  -0.415342D+01 -0.119210D+02  0.951498D+01  0.441537D+01  0.108094D+02
               261           262           263           264           265 
      1   0.495944D+01  0.655221D+00 -0.584430D+00 -0.445630D+00 -0.545353D+00
      2  -0.340768D+02  0.110225D+01  0.668073D-01  0.894392D+01  0.352337D+00
      3  -0.160012D+02  0.143433D+02 -0.101517D+02 -0.849013D+00 -0.807793D+01
               266           267           268           269           270 
      1   0.135231D+00 -0.735060D+00 -0.115003D+01  0.146321D+00  0.162166D+00
      2   0.808921D+00 -0.117586D+01  0.681896D+01  0.912499D+00 -0.161565D+01
      3   0.546947D+01 -0.468271D+00 -0.865527D+00 -0.746325D+00 -0.974107D+00
               271           272           273           274           275 
      1  -0.939215D-01  0.821794D-01  0.901331D+00 -0.138312D+01 -0.258495D+01
      2   0.598880D+01  0.734155D+00 -0.233013D+01  0.520438D+01  0.106936D+02
      3  -0.178526D+01  0.174527D+01  0.284889D+00 -0.934383D+01 -0.243266D+02
               276           277           278           279 
      1  -0.452834D+01 -0.275161D+01 -0.129653D+01 -0.511354D+01
      2   0.140201D+02  0.548377D+01  0.124137D+02  0.173068D+02
      3  -0.129059D+02 -0.650669D+01 -0.153382D+02 -0.149272D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.746058D+02  0.439451D+02 -0.435596D+01 -0.728175D+02  0.312375D+01
      2   0.376107D+02 -0.297283D+02  0.339670D+01  0.373793D+02  0.612252D+01
      3   0.369951D+02 -0.142168D+02  0.959260D+00  0.354381D+02 -0.924627D+01
      4   0.246379D+02  0.943528D+01 -0.304692D+01  0.100219D+02 -0.206825D+02
      5  -0.760085D+01 -0.352120D+01  0.486668D+00 -0.537622D+01  0.679962D+01
      6   0.275405D+01  0.137051D+01  0.113082D+01  0.426013D+01 -0.536281D+01
                 6             7             8             9            10 
      1   0.247611D+01  0.180115D+02 -0.522505D+01 -0.100752D+02  0.110281D+03
      2  -0.408268D+01 -0.813011D+01  0.167773D+01 -0.132650D+01 -0.518423D+02
      3   0.160657D+01 -0.988144D+01  0.354732D+01  0.114017D+02 -0.584388D+02
      4   0.363920D+01 -0.330495D+01  0.313382D+01 -0.640407D+00  0.100133D+02
      5   0.236156D+01  0.162961D+01 -0.103638D+01  0.432388D+00 -0.143713D+00
      6   0.448430D+00  0.152499D+01  0.345528D+01  0.147291D+01 -0.748862D+01
                11            12            13            14            15 
      1  -0.661574D+00 -0.814547D+01  0.583426D+02 -0.348482D+02  0.207955D+01
      2  -0.396576D+01  0.417849D+01 -0.215952D+02  0.242955D+02 -0.414702D+01
      3   0.462733D+01  0.396698D+01 -0.367474D+02  0.105527D+02  0.206747D+01
      4   0.142896D+02 -0.485415D+01 -0.302979D+02  0.162736D+02 -0.628643D+00
      5  -0.718522D+01 -0.813127D+01  0.971353D+01 -0.233604D+01  0.251257D+00
      6   0.424687D+01  0.110082D+01 -0.393222D+01 -0.642846D+00 -0.723317D+00
                16            17            18            19            20 
      1  -0.181554D+02  0.578726D+01 -0.407333D+01  0.394468D+02 -0.474686D+02
      2   0.776400D+01 -0.409474D+01 -0.327266D+01 -0.190605D+02  0.350982D+02
      3   0.103914D+02 -0.169252D+01  0.734599D+01 -0.203862D+02  0.123703D+02
      4   0.597822D+01 -0.289446D+01  0.366858D+01 -0.268471D+02 -0.109679D+02
      5   0.134854D+01  0.270649D+01  0.855914D+00  0.100367D+02  0.388924D+01
      6   0.456655D+01  0.297221D+01  0.184109D+01 -0.263907D+01 -0.523448D+00
                21            22            23            24            25 
      1   0.596865D+01  0.770834D+01  0.321630D+02 -0.545767D+01 -0.446415D+01
      2  -0.464706D+01 -0.206378D+02 -0.317037D+02  0.636797D+01  0.686901D+01
      3  -0.132159D+01  0.129295D+02 -0.459266D+00 -0.910302D+00 -0.240486D+01
      4   0.308452D+01  0.165295D+02 -0.240799D+01  0.267342D+01 -0.113557D+01
      5  -0.294149D+01 -0.671947D+01  0.325516D+01  0.642344D+01  0.465651D+01
      6   0.857639D+00  0.913597D+01  0.548350D+01  0.144527D+01  0.286219D+01
                26            27            28            29            30 
      1  -0.131482D+01 -0.765269D+01  0.984628D+01 -0.116542D+01  0.299093D+01
      2   0.553242D+01 -0.654256D+01 -0.232024D+02 -0.191465D+01 -0.172840D+01
      3  -0.421760D+01  0.141953D+02  0.133561D+02  0.308007D+01 -0.126253D+01
      4   0.506543D+01  0.443387D+01 -0.625087D+00  0.130365D+02  0.422338D+00
      5   0.934115D+01 -0.221559D+01 -0.105964D+02  0.226592D+01  0.911182D+01
      6   0.490760D+01 -0.566555D+00  0.102974D+02 -0.155234D+01 -0.242626D+01
                31            32            33            34            35 
      1   0.155805D+02 -0.642267D+02  0.884670D+01 -0.663739D+00  0.104764D+02
      2  -0.475176D+01  0.601410D+02 -0.124326D+02 -0.271808D+01 -0.114966D+02
      3  -0.108287D+02  0.408577D+01  0.358586D+01  0.338181D+01  0.102027D+01
      4  -0.392962D+02 -0.105208D+02  0.474665D+01  0.152254D+02  0.297450D+01
      5   0.129551D+02  0.507521D+01 -0.776739D+00  0.322350D+02 -0.603962D+01
      6  -0.101334D+01 -0.571642D+01 -0.140560D+01 -0.627972D+01  0.599842D+01
                36            37            38            39            40 
      1  -0.375782D-02 -0.504822D+01  0.670733D+02 -0.128531D+02 -0.189579D+02
      2  -0.858383D+01 -0.110125D+01 -0.532190D+02  0.828690D+01  0.200796D+02
      3   0.858759D+01  0.614947D+01 -0.138543D+02  0.456617D+01 -0.112176D+01
      4  -0.110927D+00  0.213887D+02 -0.116846D+02 -0.519384D+00  0.190403D+02
      5   0.430895D+00 -0.397343D+01 -0.385079D+01  0.197662D+01  0.242364D+01
      6   0.529127D+01 -0.363216D+01  0.438635D+01 -0.854622D+01 -0.103994D+02
                41            42            43            44            45 
      1   0.261414D+02 -0.799838D+01  0.547410D+01 -0.135316D+02 -0.132973D+02
      2  -0.297548D+02  0.756791D+01 -0.948661D+01  0.151131D+02  0.369757D+01
      3   0.361336D+01  0.430469D+00  0.401251D+01 -0.158146D+01  0.959969D+01
      4   0.153887D+02 -0.709933D+01 -0.121838D+01 -0.503909D+01 -0.767424D+01
      5  -0.831583D+01 -0.593698D+01  0.177061D+02 -0.787948D+01  0.423819D+01
      6   0.875152D+01  0.474480D+01 -0.192920D+02  0.166099D+02  0.247968D+00
                46            47            48            49            50 
      1   0.421769D+01 -0.545842D+02  0.806899D+01  0.204891D+02  0.855854D+01
      2  -0.285525D+01  0.438437D+02 -0.415533D+01 -0.191130D+02 -0.128047D+02
      3  -0.136244D+01  0.107404D+02 -0.391366D+01 -0.137617D+01  0.424614D+01
      4  -0.178964D+02 -0.829389D+01  0.398487D+01  0.129236D+02 -0.954883D+01
      5   0.551253D+01  0.612615D+01  0.188689D-01 -0.248109D+01  0.180354D+01
      6   0.376404D+01 -0.157252D+00  0.756539D+01  0.318167D+01  0.101160D+02
                51            52            53            54            55 
      1  -0.704762D+01 -0.438920D+01 -0.237633D+01 -0.205356D+02 -0.270514D+02
      2   0.772704D+01  0.648059D+01  0.901329D+01  0.900310D+01  0.108621D+02
      3  -0.679419D+00 -0.209140D+01 -0.663696D+01  0.115325D+02  0.161893D+02
      4   0.305614D+01  0.140449D+01  0.617620D+01  0.714955D+01  0.503425D+00
      5   0.821392D+00  0.529626D+01  0.319948D+01 -0.557051D+00 -0.169888D+01
      6   0.388253D+01  0.618263D+01  0.208783D+02 -0.517301D+01  0.338549D+01
                56            57            58            59            60 
      1  -0.411379D+02  0.718776D+01  0.116645D+02  0.171497D+02 -0.891302D+01
      2   0.357095D+02 -0.312669D+01 -0.109886D+02 -0.178034D+02  0.827519D+01
      3   0.542840D+01 -0.406107D+01 -0.675947D+00  0.653718D+00  0.637826D+00
      4  -0.463823D+02  0.773645D+01  0.128514D+02 -0.445097D+01 -0.737757D+00
      5   0.110253D+02 -0.783367D+01 -0.263817D+01 -0.227387D+01 -0.116637D+01
      6  -0.330215D+01  0.819526D+01  0.300622D+01  0.948692D+01  0.265793D+01
                61            62            63            64            65 
      1  -0.192697D+01 -0.546790D+01 -0.264583D+02  0.314916D+01 -0.122565D+01
      2   0.555620D+01  0.114249D+02  0.961787D+01 -0.373608D+00  0.252725D+01
      3  -0.362922D+01 -0.595701D+01  0.168404D+02 -0.277555D+01 -0.130160D+01
      4  -0.254325D+01  0.316214D+01 -0.448266D+01  0.930047D+01  0.999117D+01
      5  -0.246350D+01 -0.923642D+01  0.579429D+01 -0.270451D+01 -0.210350D+01
      6   0.722387D+01  0.185324D+02 -0.613003D+01 -0.172424D+01 -0.162561D+01
                66            67            68            69            70 
      1   0.329203D+00 -0.344264D+01 -0.136300D+02  0.320030D+01  0.211330D+00
      2   0.207693D+00  0.567966D+01  0.165055D+02 -0.141146D+01  0.582677D-02
      3  -0.536897D+00 -0.223701D+01 -0.287550D+01 -0.178885D+01 -0.217157D+00
      4  -0.161610D+01  0.132837D+02  0.177916D+02 -0.319803D+01 -0.260794D+01
      5   0.283193D+01 -0.336653D+01 -0.341280D+01  0.363193D+01  0.166568D+01
      6   0.155000D+01 -0.299230D+01 -0.595449D+01  0.508344D+01  0.203427D+01
                71            72            73            74            75 
      1   0.200248D+01 -0.251270D+01 -0.717905D+00  0.685360D+01 -0.859563D+00
      2  -0.199402D+01  0.224485D+01  0.983346D+01 -0.157118D+02  0.137594D+01
      3  -0.845982D-02  0.267852D+00 -0.911556D+01  0.885816D+01 -0.516377D+00
      4  -0.351893D+01  0.217835D+01 -0.214150D+02  0.214028D+02 -0.227353D+01
      5   0.618004D+00 -0.132164D+01  0.180089D+01 -0.230391D+01  0.297525D+01
      6   0.271943D+01 -0.195971D+01 -0.110084D+01  0.151881D+01 -0.290103D+01
                76            77            78            79            80 
      1   0.113730D+02 -0.280976D+02  0.336691D+01 -0.217608D+01  0.417800D+01
      2  -0.220885D+02  0.456004D+02 -0.412614D+01  0.395618D+01 -0.608629D+01
      3   0.107155D+02 -0.175027D+02  0.759235D+00 -0.178010D+01  0.190830D+01
      4   0.235519D+02 -0.322729D+02  0.357540D+01 -0.304100D+01  0.391833D+01
      5  -0.312503D+01  0.396307D+01 -0.361167D+01  0.155854D+00 -0.181878D+01
      6   0.357377D+01 -0.503957D+01  0.681847D+01  0.138720D+01  0.274883D+01
                81            82            83            84            85 
      1  -0.124553D+01 -0.537181D+01 -0.101363D+02  0.237779D+01 -0.917072D+01
      2   0.229586D+01  0.956916D+01  0.164692D+02 -0.258323D+01  0.134499D+02
      3  -0.105033D+01 -0.419735D+01 -0.633291D+01  0.205440D+00 -0.427915D+01
      4  -0.241377D+01  0.114490D+02  0.184074D+02 -0.323708D+01  0.124018D+02
      5   0.104403D+01 -0.131954D+01 -0.183368D+01  0.288507D+01 -0.139561D+01
      6  -0.180151D+01 -0.249088D+01 -0.380279D+01  0.351754D+01 -0.288411D+01
                86            87            88            89            90 
      1  -0.389799D+02  0.749236D+01  0.195637D+01  0.787232D+01 -0.230876D+01
      2   0.553473D+02 -0.828185D+01 -0.295746D+01 -0.100063D+02  0.269540D+01
      3  -0.163674D+02  0.789487D+00  0.100109D+01  0.213396D+01 -0.386647D+00
      4   0.261058D+02 -0.430022D+01 -0.308246D+01 -0.490545D+01  0.292334D+01
      5  -0.190799D+01  0.225451D+01  0.928377D+00  0.249956D+01 -0.135596D+01
      6  -0.104138D+02  0.869513D+01  0.595413D+00  0.463912D+01 -0.274940D+01
                91            92            93            94            95 
      1  -0.212241D+01  0.211661D+01 -0.127290D+02 -0.415947D+01 -0.158547D+01
      2   0.788542D+01  0.210116D+01  0.108774D+01  0.997776D+01 -0.104685D+02
      3  -0.576302D+01 -0.421777D+01  0.116412D+02 -0.581829D+01  0.120540D+02
      4  -0.353458D+01 -0.137174D+02 -0.336846D+01 -0.146589D+02  0.354160D+02
      5  -0.148158D+01 -0.430938D+01 -0.199677D+02  0.151214D+01 -0.126324D+02
      6  -0.357901D+01  0.141117D+01  0.104296D+01 -0.316613D+01  0.314606D+01
                96            97            98            99           100 
      1  -0.217650D+01 -0.651482D+00 -0.392482D+01 -0.198813D+02 -0.709796D+02
      2   0.164735D+01 -0.119432D+02  0.834357D+01  0.188581D+02  0.395256D+02
      3   0.529157D+00  0.125947D+02 -0.441875D+01  0.102322D+01  0.314540D+02
      4  -0.144910D+02 -0.600231D+01 -0.158418D+02 -0.380378D+01  0.111011D+02
      5  -0.524659D+01 -0.565374D+02  0.127768D+01  0.156681D+02  0.369733D+02
      6   0.346576D+01  0.270248D+01 -0.343691D+00 -0.126160D+01 -0.354767D+01
               101           102           103           104           105 
      1   0.744761D+01  0.273396D+02  0.394303D+01  0.290955D+02  0.834170D+01
      2  -0.331580D+01 -0.688678D+01 -0.530572D+01 -0.495769D+01  0.483959D+00
      3  -0.413182D+01 -0.204529D+02  0.136270D+01 -0.241378D+02 -0.882566D+01
      4   0.171546D+02  0.132440D+01  0.159870D+02 -0.144414D+02  0.225958D+02
      5   0.852937D+00  0.110571D+02 -0.272931D+00  0.149523D+02  0.734272D+01
      6  -0.110072D+02 -0.330447D+01 -0.626774D+01  0.385108D+01 -0.187729D+02
               106           107           108           109           110 
      1   0.376413D+01  0.803005D+01  0.197459D+02 -0.766573D+02 -0.236630D+02
      2   0.151373D+02 -0.323378D+01 -0.214889D+02  0.295530D+02  0.355772D+01
      3  -0.189015D+02 -0.479628D+01  0.174298D+01  0.471043D+02  0.201052D+02
      4   0.180108D+01  0.190320D+02  0.421069D+01 -0.402766D+02 -0.243474D+02
      5   0.374131D+02  0.163702D+01 -0.284450D+02  0.393438D+01 -0.149378D+01
      6  -0.351670D+01 -0.135954D+02 -0.687896D+01 -0.677524D+00  0.229304D+01
               111           112           113           114           115 
      1   0.327574D+01 -0.332011D+02 -0.150142D+02  0.872327D+01  0.317976D+02
      2  -0.292668D+01  0.774216D+01  0.539473D+01 -0.895300D+00 -0.141331D+02
      3  -0.349060D+00  0.254590D+02  0.961943D+01 -0.782797D+01 -0.176645D+02
      4   0.141091D+01 -0.118782D+02 -0.230650D+02  0.842598D+01  0.128553D+02
      5  -0.256184D+01 -0.190548D+01  0.604475D+01 -0.533134D+01  0.206108D+02
      6  -0.409657D+01  0.294380D+01 -0.371020D+01  0.213062D+00  0.334175D+01
               116           117           118           119           120 
      1   0.608383D+01  0.219861D+02  0.672005D+01 -0.904945D+01  0.485716D+01
      2  -0.225187D+01 -0.228450D+01  0.301609D+01  0.205814D+00 -0.131810D+01
      3  -0.383195D+01 -0.197016D+02 -0.973613D+01  0.884363D+01 -0.353906D+01
      4   0.137495D+02  0.440869D+01 -0.199023D+02  0.200476D+02 -0.831428D+00
      5   0.283566D+01  0.206267D+01  0.560547D+01 -0.395779D+00  0.963854D+01
      6  -0.157860D+01 -0.124871D+01 -0.148678D+01  0.610789D+00 -0.979812D+00
               121           122           123           124           125 
      1  -0.166406D+02 -0.214875D+01 -0.373659D+00  0.647622D+01  0.165566D+01
      2   0.303409D+01  0.192807D+02 -0.295053D+01 -0.235277D+01 -0.466024D+01
      3   0.136065D+02 -0.171320D+02  0.332419D+01 -0.412345D+01  0.300458D+01
      4   0.223274D+02 -0.478104D+02  0.756366D+01 -0.283346D+01  0.111369D+02
      5  -0.194808D+01  0.682428D+01 -0.103647D+02  0.114680D+02 -0.777511D+01
      6   0.599007D+00 -0.256603D+01  0.441475D+01 -0.239899D+01  0.599955D+01
               126           127           128           129           130 
      1   0.261663D+01  0.413504D+00  0.634020D+01 -0.849314D+01  0.104327D+02
      2  -0.633359D+00 -0.208428D+00 -0.288556D+01  0.755726D-01 -0.703279D+01
      3  -0.198327D+01 -0.205075D+00 -0.345463D+01  0.841757D+01 -0.339988D+01
      4  -0.843718D+01  0.339909D+01 -0.470413D+01  0.155099D+01  0.143327D+01
      5   0.347353D+01 -0.127624D+01 -0.864912D+00 -0.446304D+01 -0.952803D+01
      6  -0.241244D+01 -0.301876D+01  0.460282D+01 -0.174610D+01  0.390789D+00
               131           132           133           134           135 
      1  -0.154850D+02  0.871393D+01 -0.360776D+01  0.511747D+01 -0.111896D+02
      2   0.571135D+01  0.390062D+01  0.983976D+00  0.174578D+01 -0.125637D+01
      3   0.977362D+01 -0.126146D+02  0.262378D+01 -0.686324D+01  0.124460D+02
      4   0.281215D+02 -0.151594D+02 -0.102430D+01 -0.102604D+02  0.827819D+01
      5  -0.114135D+02  0.167914D+02  0.163135D+01  0.670337D+01 -0.868335D+01
      6  -0.191811D+02  0.130515D+02  0.578618D+00  0.103154D+02 -0.692870D+01
               136           137           138           139           140 
      1   0.108136D+03 -0.565303D+01 -0.189544D+02 -0.375613D+01  0.616223D+01
      2  -0.644216D+02  0.248578D+01  0.178917D+02  0.963924D+00 -0.399594D+01
      3  -0.437147D+02  0.316726D+01  0.106266D+01  0.279221D+01 -0.216630D+01
      4  -0.128359D+02  0.120070D+02  0.352988D+01  0.138394D+02 -0.100530D+01
      5  -0.610215D+02  0.393090D+01  0.292967D+02  0.208969D+01 -0.649880D+01
      6   0.501034D+01 -0.425582D+01 -0.217460D+01 -0.433671D+01  0.162616D+00
               141           142           143           144           145 
      1  -0.204653D+00 -0.769885D+01 -0.100319D+01  0.831203D+01 -0.210205D+01
      2  -0.568693D-01  0.823213D+01 -0.151026D-01 -0.667321D+01 -0.186211D+00
      3   0.261522D+00 -0.533276D+00  0.101829D+01 -0.163882D+01  0.228827D+01
      4  -0.519301D+01  0.183510D+00 -0.299784D+01 -0.817315D+00 -0.333355D+01
      5  -0.788747D+00  0.164719D+02 -0.204984D+00 -0.639546D+01 -0.230227D+01
      6   0.402615D+01 -0.753182D+00  0.250451D+01  0.102350D+01  0.430958D+01
               146           147           148           149           150 
      1  -0.100835D+02 -0.152834D+02 -0.900116D+01 -0.190552D+02 -0.168318D+02
      2   0.379858D+01  0.129140D+01  0.594821D+01  0.800059D+01 -0.398044D+00
      3   0.628495D+01  0.139920D+02  0.305295D+01  0.110546D+02  0.172299D+02
      4  -0.509138D+01 -0.313321D+01  0.218905D+01 -0.188422D+02 -0.178108D+02
      5  -0.795260D+00 -0.639387D+01  0.770151D+01 -0.140161D+02 -0.206868D+02
      6   0.690215D+01  0.623312D+01  0.363657D+00  0.182407D+02  0.190304D+02
               151           152           153           154           155 
      1  -0.644455D+01 -0.124757D+02 -0.243606D+02  0.165625D+03  0.348967D+02
      2   0.255613D+01 -0.303780D-01 -0.334065D+01 -0.735727D+02 -0.976520D+01
      3   0.388842D+01  0.125061D+02  0.277013D+02 -0.920521D+02 -0.251315D+02
      4   0.197951D+01 -0.134726D+02 -0.143533D+02  0.597037D+02  0.433669D+02
      5   0.396663D+01 -0.124959D+02 -0.225516D+02  0.105541D+02  0.454240D+01
      6   0.334212D+00  0.148587D+02  0.174627D+02  0.963863D-01  0.952812D+00
               156           157           158           159           160 
      1  -0.600719D+01  0.483847D+02  0.330785D+02 -0.401902D+01 -0.869775D+01
      2  -0.105507D+01 -0.112441D+02 -0.199447D+01 -0.798017D+00  0.467977D+00
      3   0.706226D+01 -0.371405D+02 -0.310840D+02  0.481704D+01  0.822977D+01
      4   0.877376D+00  0.602402D+02  0.505859D+02 -0.495308D+01 -0.550913D+01
      5   0.318340D+02  0.166846D+01 -0.197366D+00  0.149458D+02  0.300406D+02
      6   0.564876D+01  0.350047D+01  0.324475D+01  0.669887D+01  0.642529D+01
               161           162           163           164           165 
      1  -0.355053D+01  0.178187D+02  0.419114D+02  0.131081D+02  0.109962D+02
      2  -0.680027D+00 -0.103856D+02 -0.272670D+02 -0.492112D+01 -0.843540D+01
      3   0.423056D+01 -0.743305D+01 -0.146444D+02 -0.818701D+01 -0.256083D+01
      4  -0.873915D+01  0.112073D+02  0.223034D+02  0.107972D+02  0.199114D+01
      5   0.101727D+02 -0.796250D+01  0.258515D+02  0.339047D+01  0.175533D+02
      6   0.553148D+01 -0.492188D+00  0.952228D+01  0.158409D+01  0.651685D+00
               166           167           168           169           170 
      1   0.185072D+02 -0.544276D+01 -0.813365D+01 -0.591519D+01 -0.614423D+01
      2  -0.951246D+01  0.274420D+01  0.141802D+01 -0.204650D+01  0.166780D+01
      3  -0.899471D+01  0.269856D+01  0.671563D+01  0.796169D+01  0.447644D+01
      4   0.118110D+02  0.710406D+01  0.110609D+02 -0.269051D+01  0.289048D+01
      5   0.110271D+02  0.119269D+02  0.109790D+02  0.159816D+02  0.408340D+01
      6   0.273813D+01  0.663991D+01  0.120759D+02  0.205775D+00  0.102144D+02
               171           172           173           174           175 
      1  -0.281700D+02 -0.432849D+02 -0.846574D+01  0.836579D+01 -0.198792D+02
      2  -0.153018D+02  0.242976D+02  0.387102D+01  0.403186D+01  0.131683D+02
      3   0.434718D+02  0.189872D+02  0.459472D+01 -0.123977D+02  0.671088D+01
      4   0.253880D+01 -0.194989D+02 -0.781339D+01 -0.196550D+01 -0.102874D+02
      5   0.444102D+02 -0.205310D+02 -0.459891D+01 -0.140601D+02 -0.119340D+02
      6   0.781660D+01 -0.769700D+01 -0.425055D+01 -0.252946D+01 -0.408636D+01
               176           177           178           179           180 
      1  -0.844926D+01  0.197670D+01 -0.337740D+01  0.483553D+00 -0.109897D+02
      2   0.462815D+01  0.336578D+01  0.891562D+01  0.735212D+00  0.391459D+01
      3   0.382111D+01 -0.534248D+01 -0.553822D+01 -0.121876D+01  0.707512D+01
      4  -0.415095D+01  0.109831D+01 -0.572353D+01 -0.348699D+00 -0.416432D+01
      5   0.134134D+00 -0.883033D+01 -0.103374D+02 -0.195981D+01 -0.850842D+00
      6  -0.242313D+01  0.179650D+01 -0.282368D+01  0.131260D+01 -0.235920D+01
               181           182           183           184           185 
      1   0.384437D+02  0.555986D+02 -0.121587D+02 -0.366852D+02  0.254400D+02
      2  -0.245574D+02 -0.427107D+02  0.616135D+01  0.239997D+02 -0.255935D+02
      3  -0.138863D+02 -0.128879D+02  0.599739D+01  0.126855D+02  0.153538D+00
      4   0.151047D+02  0.295139D+02 -0.691102D+01  0.174687D+02  0.259843D+02
      5  -0.273652D+00 -0.973050D+01  0.114082D+02  0.240512D+01 -0.105004D+02
      6  -0.156781D+01  0.779791D+01 -0.880895D+01 -0.655065D+01  0.887394D+01
               186           187           188           189           190 
      1  -0.300404D+01  0.679540D+01 -0.103131D+02  0.144004D+01  0.112814D+03
      2   0.457173D+01 -0.127123D+02  0.142198D+02 -0.499820D+01 -0.616213D+02
      3  -0.156770D+01  0.591693D+01 -0.390671D+01  0.355816D+01 -0.511930D+02
      4  -0.108585D+02 -0.237098D+01 -0.130194D+02 -0.196886D+02 -0.147324D+02
      5  -0.410271D+01  0.288795D+02 -0.175467D+02  0.770136D+01  0.502972D+01
      6   0.358851D+01 -0.219894D+02  0.155910D+02 -0.349214D+00 -0.233403D+00
               191           192           193           194           195 
      1  -0.273710D+02 -0.928429D+00 -0.818163D+02 -0.400912D+02  0.165262D+02
      2   0.104081D+02 -0.598688D+00  0.443871D+02  0.429455D+02 -0.158638D+02
      3   0.169629D+02  0.152712D+01  0.374292D+02 -0.285429D+01 -0.662355D+00
      4   0.102660D+02 -0.136872D+01 -0.390385D+02 -0.535920D+02  0.103094D+02
      5  -0.141658D+01  0.124600D+01  0.171338D+02  0.964194D+01 -0.635259D+01
      6   0.236034D+01 -0.175380D+01  0.185188D+01 -0.109658D+02 -0.164182D+01
               196           197           198           199           200 
      1   0.138724D+02  0.119034D+02  0.198224D+02 -0.114833D+03 -0.619926D+01
      2  -0.865129D+01 -0.102602D+02 -0.176694D+02  0.545250D+02  0.123157D+02
      3  -0.522114D+01 -0.164324D+01 -0.215305D+01  0.603083D+02 -0.611642D+01
      4   0.156905D+02  0.565806D+01 -0.876397D+01 -0.119535D+02 -0.239858D+02
      5   0.428998D+02 -0.146300D+02  0.214423D+01  0.387946D+01  0.101581D+02
      6  -0.479002D+01  0.647955D+01  0.301056D+01  0.713930D+01 -0.473765D+01
               201           202           203           204           205 
      1   0.821348D+01  0.109625D+03  0.573634D+01 -0.960888D+01 -0.126512D+02
      2  -0.561056D+01 -0.677006D+02 -0.153713D+02  0.817870D+01  0.988529D+01
      3  -0.260292D+01 -0.419249D+02  0.963501D+01  0.143018D+01  0.276596D+01
      4   0.815798D+01  0.137331D+02  0.212753D+02  0.101093D+01  0.773754D+00
      5   0.487587D+01 -0.368118D+01  0.163925D+01  0.924224D+01  0.557856D+01
      6   0.147618D+01  0.319373D+01  0.918399D+01  0.411439D+01  0.289180D+01
               206           207           208           209           210 
      1  -0.718885D+00 -0.118834D+02  0.170558D+02 -0.377538D+01  0.257751D+01
      2   0.394832D+01 -0.484958D+01 -0.100089D+02  0.142737D+01  0.519567D+00
      3  -0.322944D+01  0.167329D+02 -0.704685D+01  0.234801D+01 -0.309707D+01
      4   0.648916D+01  0.190593D+02 -0.176336D+02  0.129727D+02  0.269740D+01
      5   0.225498D+02 -0.840719D+01  0.213634D+01  0.195931D+01  0.225985D+02
      6   0.823354D+01  0.758683D+00  0.177855D+01 -0.784960D+00  0.607039D+00
               211           212           213           214           215 
      1  -0.156720D+02  0.234969D+01  0.245515D+01  0.316259D+01 -0.443791D+00
      2   0.619320D+01  0.150827D+01  0.194785D+01 -0.134193D+01  0.119455D+01
      3   0.947884D+01 -0.385796D+01 -0.440300D+01 -0.182066D+01 -0.750755D+00
      4   0.280114D+02 -0.233608D+02  0.375699D+01 -0.235213D+01  0.130280D+01
      5  -0.566371D+00  0.513902D+01  0.926190D+01  0.123941D+02 -0.728004D+01
      6  -0.649778D+00  0.263922D+01  0.814438D+01 -0.237226D+01  0.430698D+01
               216           217           218           219           220 
      1   0.256984D+01 -0.790126D+02  0.225082D+02  0.311632D+01  0.372629D+02
      2  -0.253611D+01  0.436685D+02 -0.112048D+02 -0.109409D+01 -0.182251D+02
      3  -0.337388D-01  0.353442D+02 -0.113034D+02 -0.202223D+01 -0.190379D+02
      4  -0.744441D+01  0.265880D+02  0.165640D+02 -0.632791D+01 -0.944439D+01
      5  -0.182679D+01  0.203832D+01 -0.623845D+01  0.885631D+01 -0.774822D+01
      6  -0.181312D+01 -0.329685D+01 -0.108872D+01  0.230688D+01 -0.302699D+01
               221           222           223           224           225 
      1   0.753477D+01 -0.906271D+01 -0.142315D+01 -0.518549D+01  0.158507D+02
      2  -0.596011D+01 -0.399096D+01 -0.338989D+01 -0.312685D+01 -0.631916D+01
      3  -0.157467D+01  0.130537D+02  0.481304D+01  0.831235D+01 -0.953151D+01
      4  -0.960378D+01 -0.182778D+02 -0.579290D+01 -0.153126D+02 -0.361502D+02
      5  -0.186512D+02 -0.587802D+02 -0.961120D+01 -0.352880D+02  0.239409D+02
      6  -0.433218D+01 -0.147281D+02 -0.766184D+01 -0.101509D+02  0.728361D+01
               226           227           228           229           230 
      1  -0.928793D+01 -0.177729D+02  0.416796D+01 -0.102941D+02 -0.459299D+02
      2   0.952812D+01  0.190542D+02 -0.304232D+01  0.113707D+02  0.547312D+02
      3  -0.240194D+00 -0.128138D+01 -0.112564D+01 -0.107659D+01 -0.880135D+01
      4   0.411663D+01  0.639696D+01 -0.102147D+01  0.322990D+01 -0.377884D+01
      5  -0.485829D+00 -0.569973D+00  0.103301D+01  0.140751D-01  0.209779D+01
      6  -0.267587D+01 -0.481789D+01  0.364665D+01 -0.295239D+01 -0.131248D+02
               231           232           233           234           235 
      1   0.923474D+01  0.262944D+01  0.952268D+01 -0.232753D+01  0.177721D+02
      2  -0.808275D+01 -0.293690D+01 -0.989526D+01  0.250446D+01  0.126935D+01
      3  -0.115199D+01  0.307463D+00  0.372581D+00 -0.176924D+00 -0.190414D+02
      4   0.983656D+00 -0.478717D+00  0.682732D+00  0.958901D+00 -0.370070D+02
      5  -0.151507D+01  0.208610D+01  0.473356D-01 -0.210678D+00  0.606941D+01
      6   0.901006D+01 -0.600791D-01  0.530545D+01 -0.281495D+01 -0.276148D+01
               236           237           238           239           240 
      1  -0.967951D+01  0.102862D+01 -0.745567D+01 -0.391265D+01  0.235295D+00
      2  -0.716394D+01  0.319729D-01 -0.131471D+02  0.306377D+02 -0.173342D+01
      3   0.168434D+02 -0.106059D+01  0.206028D+02 -0.267250D+02  0.149813D+01
      4   0.365365D+02 -0.377913D+01  0.434025D+02 -0.597924D+02  0.671478D+01
      5  -0.529649D+01  0.559500D+01 -0.784234D+01  0.921561D+01 -0.768693D+01
      6   0.295182D+01 -0.366980D+01  0.584796D+01 -0.762478D+01  0.728431D+01
               241           242           243           244           245 
      1  -0.376886D-01  0.819972D+00 -0.171848D+01  0.200823D+02  0.120869D+02
      2   0.291907D+01 -0.349794D+01  0.225826D+01 -0.811333D+01 -0.388977D+01
      3  -0.288138D+01  0.267797D+01 -0.539780D+00 -0.119690D+02 -0.819710D+01
      4  -0.537725D+01  0.726753D+01 -0.403414D+01  0.214144D+02  0.151442D+02
      5   0.288639D+00 -0.353827D+01  0.197265D+01 -0.472045D+01 -0.300714D+01
      6   0.232271D+00  0.378699D+01 -0.197242D+01 -0.112706D+01 -0.116044D+01
               246           247           248           249           250 
      1  -0.324933D+01  0.137016D+02 -0.516037D+00 -0.546646D+00 -0.377949D+01
      2   0.158487D+01 -0.114558D+01  0.114480D+02 -0.405106D+00  0.150376D+01
      3   0.166446D+01 -0.125560D+02 -0.109319D+02  0.951752D+00  0.227573D+01
      4  -0.368222D+01  0.254031D+02  0.357393D+02 -0.703184D+01 -0.577234D+01
      5   0.284956D+01 -0.477402D+01 -0.568203D+01  0.557836D+01  0.215266D+01
      6   0.120768D+01 -0.230798D+01 -0.398695D+01  0.456355D+01  0.229402D+01
               251           252           253           254           255 
      1  -0.102306D+01 -0.523676D+00 -0.204957D+01  0.186457D+00 -0.111802D+02
      2  -0.111208D+01  0.141460D+01  0.131184D+00 -0.525810D+00  0.332795D+01
      3   0.213514D+01 -0.890923D+00  0.191839D+01  0.339352D+00  0.785229D+01
      4  -0.749672D+01  0.187777D+01 -0.321494D+01 -0.287005D+01 -0.482130D+00
      5   0.359428D+00 -0.107560D+01 -0.648262D+01  0.219915D-01 -0.667103D+01
      6   0.171987D+01 -0.170488D+01 -0.120824D+01  0.998133D+00 -0.268089D+01
               256           257           258           259           260 
      1   0.418592D+01  0.282463D+00  0.123574D+01 -0.298202D+02 -0.263354D+01
      2  -0.236347D+01  0.692369D+00  0.617781D+00  0.197280D+02  0.268687D+01
      3  -0.182245D+01 -0.974832D+00 -0.185352D+01  0.100922D+02 -0.533311D-01
      4   0.148376D+02  0.170720D+02 -0.155472D+02 -0.166471D+02 -0.166743D+02
      5  -0.996653D+01 -0.143613D+02  0.260332D+02  0.296306D+02  0.217436D+02
      6  -0.356512D+01 -0.630683D+01  0.107343D+02  0.763034D+01  0.943047D+01
               261           262           263           264           265 
      1  -0.432532D+01  0.196751D+03 -0.143229D+02 -0.769649D+01 -0.388770D+02
      2  -0.110333D+02 -0.103508D+03  0.838269D+01  0.497677D+01  0.213881D+02
      3   0.153586D+02 -0.932432D+02  0.594026D+01  0.271972D+01  0.174889D+02
      4   0.234680D+02 -0.496614D+01  0.156998D+02  0.904829D+00  0.193903D+02
      5  -0.630840D+02 -0.114709D+02  0.151953D+01  0.178579D+02  0.303437D+01
      6  -0.153016D+02  0.179647D+01 -0.866184D+00  0.673999D+00 -0.132369D+01
               266           267           268           269           270 
      1   0.179320D+02  0.177942D+01 -0.318282D+01  0.545453D+00  0.143664D+02
      2  -0.880894D+01 -0.836349D+00  0.264385D+01  0.150254D+00 -0.870546D+01
      3  -0.912308D+01 -0.943075D+00  0.538978D+00 -0.695707D+00 -0.566098D+01
      4  -0.963726D+01  0.599207D+00  0.917795D+00  0.148712D+01  0.176915D+01
      5   0.276938D+00 -0.255688D+01  0.212737D+02  0.988792D+00 -0.387430D+01
      6   0.102929D+01  0.140801D+01  0.416569D+00  0.186047D+01 -0.336486D+00
               271           272           273           274           275 
      1   0.594974D+01  0.474844D+01  0.893287D+01  0.183778D+02  0.657322D+01
      2  -0.212081D+01 -0.258122D+01 -0.466822D+01 -0.541535D+01  0.566542D+01
      3  -0.382893D+01 -0.216723D+01 -0.426465D+01 -0.129624D+02 -0.122386D+02
      4   0.301988D+01  0.965496D+00  0.249964D+01  0.301121D+02  0.404770D+02
      5   0.883642D+01  0.158766D+01 -0.362873D+01  0.135908D+02  0.234101D+02
      6   0.209943D+01 -0.546130D-01 -0.179446D+01  0.504292D+01  0.825661D+01
               276           277           278           279 
      1   0.219128D+01  0.314619D+02  0.635060D+01 -0.551720D+00
      2   0.342882D+01 -0.142549D+02  0.485199D+00 -0.859085D+00
      3  -0.562010D+01 -0.172071D+02 -0.683580D+01  0.141080D+01
      4   0.236513D+02  0.226986D+02  0.263947D+02  0.248487D+02
      5   0.278160D+02  0.196785D+02  0.243370D+02  0.348234D+02
      6   0.920882D+01  0.687856D+01  0.889351D+01  0.980011D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 23:39:43 2021, MaxMem=  5368709120 cpu:           28086.6 elap:            3519.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.31096 -19.31019 -19.25052 -10.43459 -10.37836
 Alpha  occ. eigenvalues --  -10.36502 -10.33362 -10.32815 -10.32707 -10.32291
 Alpha  occ. eigenvalues --  -10.31958 -10.31951 -10.31941 -10.31768 -10.31450
 Alpha  occ. eigenvalues --  -10.31118 -10.29785  -1.19736  -1.17692  -1.11411
 Alpha  occ. eigenvalues --   -0.99199  -0.94714  -0.90321  -0.88154  -0.85349
 Alpha  occ. eigenvalues --   -0.82990  -0.80447  -0.75661  -0.73400  -0.71466
 Alpha  occ. eigenvalues --   -0.70659  -0.69320  -0.64161  -0.63038  -0.62142
 Alpha  occ. eigenvalues --   -0.60181  -0.57612  -0.57284  -0.55407  -0.55239
 Alpha  occ. eigenvalues --   -0.54969  -0.53998  -0.52647  -0.51734  -0.51268
 Alpha  occ. eigenvalues --   -0.50848  -0.50341  -0.48725  -0.47388  -0.46608
 Alpha  occ. eigenvalues --   -0.45455  -0.45014  -0.44331  -0.43551  -0.42391
 Alpha  occ. eigenvalues --   -0.40992  -0.40488  -0.38440  -0.36159  -0.32402
 Alpha  occ. eigenvalues --   -0.29789
 Alpha virt. eigenvalues --    0.00368   0.03387   0.06639   0.07123   0.07503
 Alpha virt. eigenvalues --    0.08220   0.09453   0.10708   0.10914   0.11403
 Alpha virt. eigenvalues --    0.11693   0.13036   0.13304   0.14056   0.14482
 Alpha virt. eigenvalues --    0.15252   0.16256   0.16710   0.17305   0.17418
 Alpha virt. eigenvalues --    0.17551   0.18258   0.19006   0.19474   0.19610
 Alpha virt. eigenvalues --    0.20207   0.20422   0.21463   0.21800   0.22150
 Alpha virt. eigenvalues --    0.22709   0.23205   0.23514   0.24041   0.24715
 Alpha virt. eigenvalues --    0.25265   0.25780   0.26352   0.26611   0.26815
 Alpha virt. eigenvalues --    0.27393   0.28036   0.28497   0.28863   0.28990
 Alpha virt. eigenvalues --    0.29635   0.30498   0.30948   0.31171   0.31486
 Alpha virt. eigenvalues --    0.31803   0.32637   0.33200   0.33618   0.33745
 Alpha virt. eigenvalues --    0.34243   0.34522   0.34936   0.35214   0.35783
 Alpha virt. eigenvalues --    0.36277   0.36654   0.37305   0.37898   0.38098
 Alpha virt. eigenvalues --    0.38266   0.38646   0.38924   0.39363   0.39647
 Alpha virt. eigenvalues --    0.40220   0.40600   0.41045   0.41178   0.41724
 Alpha virt. eigenvalues --    0.41970   0.42207   0.42591   0.42906   0.43205
 Alpha virt. eigenvalues --    0.43684   0.43761   0.44361   0.44660   0.45008
 Alpha virt. eigenvalues --    0.45058   0.45927   0.46164   0.46451   0.46812
 Alpha virt. eigenvalues --    0.47266   0.47331   0.47691   0.48105   0.48260
 Alpha virt. eigenvalues --    0.48429   0.49065   0.49706   0.49822   0.49930
 Alpha virt. eigenvalues --    0.50421   0.50830   0.51518   0.52095   0.52345
 Alpha virt. eigenvalues --    0.52431   0.52799   0.53535   0.53923   0.54020
 Alpha virt. eigenvalues --    0.54689   0.55101   0.55595   0.55885   0.56365
 Alpha virt. eigenvalues --    0.56758   0.56950   0.57226   0.57978   0.58547
 Alpha virt. eigenvalues --    0.59411   0.59607   0.59829   0.60341   0.60680
 Alpha virt. eigenvalues --    0.60909   0.61346   0.62028   0.62242   0.63067
 Alpha virt. eigenvalues --    0.63840   0.64283   0.64572   0.65089   0.65507
 Alpha virt. eigenvalues --    0.66005   0.66290   0.67302   0.67649   0.67936
 Alpha virt. eigenvalues --    0.68363   0.68595   0.69104   0.69853   0.70263
 Alpha virt. eigenvalues --    0.70920   0.71653   0.72206   0.72835   0.73252
 Alpha virt. eigenvalues --    0.73818   0.74550   0.74656   0.75357   0.75813
 Alpha virt. eigenvalues --    0.76371   0.76923   0.77020   0.77929   0.78438
 Alpha virt. eigenvalues --    0.79141   0.79929   0.80302   0.80558   0.82104
 Alpha virt. eigenvalues --    0.82193   0.82683   0.82925   0.84041   0.84721
 Alpha virt. eigenvalues --    0.84860   0.85230   0.85602   0.86519   0.87708
 Alpha virt. eigenvalues --    0.88605   0.89538   0.90174   0.90870   0.91227
 Alpha virt. eigenvalues --    0.92169   0.92753   0.94253   0.94648   0.95189
 Alpha virt. eigenvalues --    0.96089   0.96645   0.97316   0.97630   0.99523
 Alpha virt. eigenvalues --    1.00625   1.01090   1.01900   1.03364   1.04562
 Alpha virt. eigenvalues --    1.04709   1.05439   1.06151   1.07079   1.07271
 Alpha virt. eigenvalues --    1.08251   1.08834   1.09392   1.10328   1.10858
 Alpha virt. eigenvalues --    1.11143   1.11781   1.12847   1.13634   1.14370
 Alpha virt. eigenvalues --    1.14643   1.14809   1.15864   1.17271   1.18496
 Alpha virt. eigenvalues --    1.19188   1.19584   1.21554   1.23237   1.24057
 Alpha virt. eigenvalues --    1.25004   1.25131   1.26731   1.27448   1.27687
 Alpha virt. eigenvalues --    1.28642   1.28840   1.29749   1.30537   1.32163
 Alpha virt. eigenvalues --    1.32977   1.34062   1.35015   1.36181   1.37436
 Alpha virt. eigenvalues --    1.37978   1.38857   1.39317   1.40531   1.42189
 Alpha virt. eigenvalues --    1.43076   1.44343   1.44738   1.46195   1.46729
 Alpha virt. eigenvalues --    1.47833   1.49223   1.51383   1.52370   1.53309
 Alpha virt. eigenvalues --    1.55042   1.56106   1.57521   1.57880   1.59091
 Alpha virt. eigenvalues --    1.59948   1.61705   1.62494   1.63391   1.65063
 Alpha virt. eigenvalues --    1.65973   1.67300   1.67751   1.68184   1.68723
 Alpha virt. eigenvalues --    1.70444   1.71002   1.72971   1.73818   1.74474
 Alpha virt. eigenvalues --    1.75549   1.76802   1.77931   1.78494   1.79178
 Alpha virt. eigenvalues --    1.80853   1.81883   1.82402   1.84060   1.84969
 Alpha virt. eigenvalues --    1.86571   1.87432   1.88318   1.89898   1.90399
 Alpha virt. eigenvalues --    1.92066   1.93872   1.94059   1.94383   1.95673
 Alpha virt. eigenvalues --    1.96458   1.96832   1.97308   1.98076   1.99757
 Alpha virt. eigenvalues --    1.99990   2.01223   2.02867   2.04242   2.05903
 Alpha virt. eigenvalues --    2.05981   2.06835   2.07289   2.09027   2.10573
 Alpha virt. eigenvalues --    2.11541   2.11996   2.12329   2.13788   2.14518
 Alpha virt. eigenvalues --    2.15139   2.15822   2.16183   2.17479   2.18669
 Alpha virt. eigenvalues --    2.19118   2.20344   2.21624   2.22472   2.23828
 Alpha virt. eigenvalues --    2.24578   2.26768   2.29513   2.30204   2.31204
 Alpha virt. eigenvalues --    2.31950   2.33655   2.35000   2.36536   2.37978
 Alpha virt. eigenvalues --    2.38368   2.39420   2.41520   2.42094   2.43712
 Alpha virt. eigenvalues --    2.44871   2.46363   2.46721   2.47854   2.49265
 Alpha virt. eigenvalues --    2.50819   2.52319   2.53911   2.54848   2.55738
 Alpha virt. eigenvalues --    2.57022   2.59430   2.59989   2.61440   2.64015
 Alpha virt. eigenvalues --    2.64545   2.65492   2.67031   2.67306   2.69111
 Alpha virt. eigenvalues --    2.73313   2.73923   2.76366   2.78450   2.81565
 Alpha virt. eigenvalues --    2.86512   2.87135   2.91432   2.94242   2.95691
 Alpha virt. eigenvalues --    2.96304   2.99557   3.00626   3.00737   3.02638
 Alpha virt. eigenvalues --    3.02985   3.04262   3.04507   3.06402   3.06819
 Alpha virt. eigenvalues --    3.09227   3.11447   3.13446   3.15994   3.16921
 Alpha virt. eigenvalues --    3.18172   3.18851   3.20208   3.22597   3.23753
 Alpha virt. eigenvalues --    3.26020   3.28378   3.28646   3.29597   3.34243
 Alpha virt. eigenvalues --    3.36049   3.41922   3.54684   3.55463   3.67988
 Alpha virt. eigenvalues --    3.68788   3.71783   3.88743   3.92917   4.07160
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.776853  -1.527771  -1.273107   0.051587  -0.303330  -0.078141
     2  C   -1.527771  11.528305   0.416402  -1.142977   0.491392  -0.800596
     3  C   -1.273107   0.416402   9.089321  -1.613486  -0.169143  -0.136724
     4  C    0.051587  -1.142977  -1.613486  12.622975  -0.743781   0.794423
     5  C   -0.303330   0.491392  -0.169143  -0.743781   9.192498  -0.692995
     6  C   -0.078141  -0.800596  -0.136724   0.794423  -0.692995   7.902532
     7  C   -0.120166  -0.632388  -0.325259   0.136425   0.058291   0.144321
     8  H   -0.612445   0.186443   0.422442  -1.411448   0.003429   0.133225
     9  H    0.134998  -0.108979   0.098943  -1.194758   0.063338  -0.596144
    10  H    0.157166  -0.922211   0.120015  -0.085354  -0.666984  -0.085640
    11  C    0.018155   0.108843  -0.518269  -0.059050  -0.776819   0.022701
    12  C   -0.002480  -0.000856  -0.079282   0.084459  -0.016480   0.001160
    13  C   -0.026430  -0.013158  -0.169201   0.337657  -0.088362   0.001668
    14  H    0.023967   0.010528   0.159993  -0.442279  -0.072789   0.007290
    15  H   -0.000898   0.001128   0.023163  -0.053518   0.006562   0.000587
    16  H   -0.001269  -0.000195  -0.013046   0.016234  -0.015549  -0.000040
    17  H    0.002035   0.001234   0.023987  -0.059941   0.046732  -0.004516
    18  O    0.002007   0.000734   0.050726  -0.054225   0.025164  -0.000371
    19  O    0.010817  -0.001665  -0.027081  -0.009421   0.020619  -0.000620
    20  H    0.004553   0.002616   0.010624  -0.060497  -0.016275   0.002915
    21  C    0.166613  -0.415874   0.078918  -0.010492  -0.004366  -0.029528
    22  C   -0.743709   0.198729   0.056468   0.016094   0.002946   0.086247
    23  C   -0.117429  -0.641834  -0.019815   0.124850  -0.024664  -0.724274
    24  O    0.047100   0.010777  -0.005745  -0.001289   0.000195  -0.008566
    25  C   -0.004583   0.001537   0.000010  -0.000133  -0.000003  -0.005127
    26  H   -0.217565   0.146225  -0.058707  -0.006744  -0.013811  -0.013719
    27  H   -0.036781   0.031791   0.005279   0.000936   0.000739   0.002170
    28  H    0.060453  -0.212338   0.008042  -0.015055   0.029748   0.072470
    29  H    0.000678   0.001960  -0.000079   0.000013   0.000018  -0.000164
    30  H   -0.000865  -0.001859   0.000023   0.000002  -0.000004   0.000131
    31  H    0.000658   0.001524  -0.000086   0.000015   0.000023  -0.000413
               7          8          9         10         11         12
     1  C   -0.120166  -0.612445   0.134998   0.157166   0.018155  -0.002480
     2  C   -0.632388   0.186443  -0.108979  -0.922211   0.108843  -0.000856
     3  C   -0.325259   0.422442   0.098943   0.120015  -0.518269  -0.079282
     4  C    0.136425  -1.411448  -1.194758  -0.085354  -0.059050   0.084459
     5  C    0.058291   0.003429   0.063338  -0.666984  -0.776819  -0.016480
     6  C    0.144321   0.133225  -0.596144  -0.085640   0.022701   0.001160
     7  C    7.389908  -0.168780  -0.001892   0.010204  -0.008897   0.001627
     8  H   -0.168780   2.596211   0.043389  -0.015022  -0.205388  -0.024632
     9  H   -0.001892   0.043389   3.266086  -0.798100  -0.403470  -0.039487
    10  H    0.010204  -0.015022  -0.798100   2.889838   0.019225   0.001012
    11  C   -0.008897  -0.205388  -0.403470   0.019225   7.641476   0.422277
    12  C    0.001627  -0.024632  -0.039487   0.001012   0.422277   4.269274
    13  C   -0.002423  -0.066025  -0.027326   0.000217  -0.229750   0.027750
    14  H    0.001079   0.031042   0.071508  -0.002644   0.063375  -0.198919
    15  H   -0.001231   0.013958   0.001145   0.000067   0.053048   0.268836
    16  H   -0.000106  -0.002726  -0.005272   0.000032   0.149867   0.236469
    17  H    0.000481   0.001271   0.020961  -0.000585   0.138313   0.185283
    18  O    0.000124   0.009400   0.004836  -0.000072  -0.055730  -0.014608
    19  O    0.001262   0.004050  -0.003619  -0.000315   0.012280   0.010450
    20  H    0.000702  -0.001927   0.003754   0.000262  -0.044153   0.000183
    21  C   -0.058117   0.028967   0.000984  -0.019594   0.000221   0.000002
    22  C    0.471006  -0.000692  -0.000314  -0.033639  -0.000452  -0.000125
    23  C   -0.377884  -0.012631   0.008739  -0.147563  -0.000192  -0.000161
    24  O   -0.006041  -0.000693   0.000068  -0.000652   0.000008   0.000006
    25  C   -0.004238  -0.000007  -0.000018  -0.000612  -0.000003  -0.000000
    26  H   -0.630886  -0.129512   0.000500  -0.000113  -0.000185   0.000859
    27  H    0.057526   0.000111  -0.000019   0.000490  -0.000008  -0.000001
    28  H    0.050048   0.001706  -0.002109  -0.004399   0.000126  -0.000019
    29  H    0.000315  -0.000001   0.000001  -0.000316  -0.000000  -0.000000
    30  H    0.000142   0.000000   0.000000   0.000031  -0.000000  -0.000000
    31  H    0.000293  -0.000001   0.000001  -0.000392  -0.000001   0.000000
              13         14         15         16         17         18
     1  C   -0.026430   0.023967  -0.000898  -0.001269   0.002035   0.002007
     2  C   -0.013158   0.010528   0.001128  -0.000195   0.001234   0.000734
     3  C   -0.169201   0.159993   0.023163  -0.013046   0.023987   0.050726
     4  C    0.337657  -0.442279  -0.053518   0.016234  -0.059941  -0.054225
     5  C   -0.088362  -0.072789   0.006562  -0.015549   0.046732   0.025164
     6  C    0.001668   0.007290   0.000587  -0.000040  -0.004516  -0.000371
     7  C   -0.002423   0.001079  -0.001231  -0.000106   0.000481   0.000124
     8  H   -0.066025   0.031042   0.013958  -0.002726   0.001271   0.009400
     9  H   -0.027326   0.071508   0.001145  -0.005272   0.020961   0.004836
    10  H    0.000217  -0.002644   0.000067   0.000032  -0.000585  -0.000072
    11  C   -0.229750   0.063375   0.053048   0.149867   0.138313  -0.055730
    12  C    0.027750  -0.198919   0.268836   0.236469   0.185283  -0.014608
    13  C    5.503091  -0.177753   0.050412  -0.035747  -0.015053   0.103786
    14  H   -0.177753   1.229044  -0.000927   0.016305  -0.009182   0.008262
    15  H    0.050412  -0.000927   0.636752  -0.010640   0.013053   0.000907
    16  H   -0.035747   0.016305  -0.010640   0.606587  -0.031150   0.009148
    17  H   -0.015053  -0.009182   0.013053  -0.031150   0.667730   0.005649
    18  O    0.103786   0.008262   0.000907   0.009148   0.005649   8.415154
    19  O   -0.093069   0.011202  -0.007559   0.004586  -0.000108   0.018727
    20  H    0.121888   0.003832   0.000601  -0.000184  -0.000129  -0.012262
    21  C   -0.000224   0.000025   0.000005   0.000000   0.000003   0.000035
    22  C    0.000259  -0.000049   0.000007   0.000001  -0.000020  -0.000013
    23  C   -0.000702   0.000446  -0.000001  -0.000009   0.000086   0.000050
    24  O   -0.000005   0.000001  -0.000001  -0.000000   0.000000  -0.000000
    25  C    0.000001  -0.000000  -0.000000   0.000000  -0.000000  -0.000000
    26  H   -0.000618   0.000121  -0.000709  -0.000021   0.000090   0.000054
    27  H    0.000011  -0.000000  -0.000000   0.000000  -0.000001   0.000000
    28  H   -0.000040   0.000012  -0.000001  -0.000000   0.000000   0.000002
    29  H    0.000000  -0.000000   0.000000   0.000000  -0.000000  -0.000000
    30  H   -0.000000  -0.000000  -0.000000   0.000000  -0.000000   0.000000
    31  H    0.000000  -0.000000   0.000000   0.000000   0.000000  -0.000000
              19         20         21         22         23         24
     1  C    0.010817   0.004553   0.166613  -0.743709  -0.117429   0.047100
     2  C   -0.001665   0.002616  -0.415874   0.198729  -0.641834   0.010777
     3  C   -0.027081   0.010624   0.078918   0.056468  -0.019815  -0.005745
     4  C   -0.009421  -0.060497  -0.010492   0.016094   0.124850  -0.001289
     5  C    0.020619  -0.016275  -0.004366   0.002946  -0.024664   0.000195
     6  C   -0.000620   0.002915  -0.029528   0.086247  -0.724274  -0.008566
     7  C    0.001262   0.000702  -0.058117   0.471006  -0.377884  -0.006041
     8  H    0.004050  -0.001927   0.028967  -0.000692  -0.012631  -0.000693
     9  H   -0.003619   0.003754   0.000984  -0.000314   0.008739   0.000068
    10  H   -0.000315   0.000262  -0.019594  -0.033639  -0.147563  -0.000652
    11  C    0.012280  -0.044153   0.000221  -0.000452  -0.000192   0.000008
    12  C    0.010450   0.000183   0.000002  -0.000125  -0.000161   0.000006
    13  C   -0.093069   0.121888  -0.000224   0.000259  -0.000702  -0.000005
    14  H    0.011202   0.003832   0.000025  -0.000049   0.000446   0.000001
    15  H   -0.007559   0.000601   0.000005   0.000007  -0.000001  -0.000001
    16  H    0.004586  -0.000184   0.000000   0.000001  -0.000009  -0.000000
    17  H   -0.000108  -0.000129   0.000003  -0.000020   0.000086   0.000000
    18  O    0.018727  -0.012262   0.000035  -0.000013   0.000050  -0.000000
    19  O    8.286930   0.172980  -0.000096  -0.000144  -0.000057   0.000008
    20  H    0.172980   0.559811  -0.000016   0.000015   0.000258  -0.000003
    21  C   -0.000096  -0.000016   7.414486  -0.573139   0.040994   0.010384
    22  C   -0.000144   0.000015  -0.573139   7.991022  -0.657921  -0.195774
    23  C   -0.000057   0.000258   0.040994  -0.657921   8.773395   0.237908
    24  O    0.000008  -0.000003   0.010384  -0.195774   0.237908   8.773328
    25  C   -0.000000  -0.000000   0.003166   0.090502   0.033136   0.111274
    26  H   -0.000093   0.000196  -0.412563   0.082813   0.061037   0.008976
    27  H   -0.000008  -0.000001  -0.077774  -0.325069   0.023383   0.077383
    28  H   -0.000033   0.000012   0.078949  -0.710872  -0.718921  -0.192956
    29  H   -0.000000   0.000000  -0.001043   0.018594   0.007668   0.084713
    30  H   -0.000000   0.000000   0.009955   0.022178   0.048077  -0.190837
    31  H   -0.000000  -0.000000  -0.001147   0.017375   0.008809   0.085531
              25         26         27         28         29         30
     1  C   -0.004583  -0.217565  -0.036781   0.060453   0.000678  -0.000865
     2  C    0.001537   0.146225   0.031791  -0.212338   0.001960  -0.001859
     3  C    0.000010  -0.058707   0.005279   0.008042  -0.000079   0.000023
     4  C   -0.000133  -0.006744   0.000936  -0.015055   0.000013   0.000002
     5  C   -0.000003  -0.013811   0.000739   0.029748   0.000018  -0.000004
     6  C   -0.005127  -0.013719   0.002170   0.072470  -0.000164   0.000131
     7  C   -0.004238  -0.630886   0.057526   0.050048   0.000315   0.000142
     8  H   -0.000007  -0.129512   0.000111   0.001706  -0.000001   0.000000
     9  H   -0.000018   0.000500  -0.000019  -0.002109   0.000001   0.000000
    10  H   -0.000612  -0.000113   0.000490  -0.004399  -0.000316   0.000031
    11  C   -0.000003  -0.000185  -0.000008   0.000126  -0.000000  -0.000000
    12  C   -0.000000   0.000859  -0.000001  -0.000019  -0.000000  -0.000000
    13  C    0.000001  -0.000618   0.000011  -0.000040   0.000000  -0.000000
    14  H   -0.000000   0.000121  -0.000000   0.000012  -0.000000  -0.000000
    15  H   -0.000000  -0.000709  -0.000000  -0.000001   0.000000  -0.000000
    16  H    0.000000  -0.000021   0.000000  -0.000000   0.000000   0.000000
    17  H   -0.000000   0.000090  -0.000001   0.000000  -0.000000  -0.000000
    18  O   -0.000000   0.000054   0.000000   0.000002  -0.000000   0.000000
    19  O   -0.000000  -0.000093  -0.000008  -0.000033  -0.000000  -0.000000
    20  H   -0.000000   0.000196  -0.000001   0.000012   0.000000   0.000000
    21  C    0.003166  -0.412563  -0.077774   0.078949  -0.001043   0.009955
    22  C    0.090502   0.082813  -0.325069  -0.710872   0.018594   0.022178
    23  C    0.033136   0.061037   0.023383  -0.718921   0.007668   0.048077
    24  O    0.111274   0.008976   0.077383  -0.192956   0.084713  -0.190837
    25  C    4.109274   0.000663  -0.015735  -0.038126   0.227634   0.449786
    26  H    0.000663   2.006169  -0.171911  -0.007391   0.000044  -0.000023
    27  H   -0.015735  -0.171911   1.295448   0.017397   0.000147   0.000146
    28  H   -0.038126  -0.007391   0.017397   2.339577  -0.033394   0.056112
    29  H    0.227634   0.000044   0.000147  -0.033394   0.660866  -0.162280
    30  H    0.449786  -0.000023   0.000146   0.056112  -0.162280   1.453126
    31  H    0.227520   0.000046   0.000151  -0.033029   0.011655  -0.162276
              31
     1  C    0.000658
     2  C    0.001524
     3  C   -0.000086
     4  C    0.000015
     5  C    0.000023
     6  C   -0.000413
     7  C    0.000293
     8  H   -0.000001
     9  H    0.000001
    10  H   -0.000392
    11  C   -0.000001
    12  C    0.000000
    13  C    0.000000
    14  H   -0.000000
    15  H    0.000000
    16  H    0.000000
    17  H    0.000000
    18  O   -0.000000
    19  O   -0.000000
    20  H   -0.000000
    21  C   -0.001147
    22  C    0.017375
    23  C    0.008809
    24  O    0.085531
    25  C    0.227520
    26  H    0.000046
    27  H    0.000151
    28  H   -0.033029
    29  H    0.011655
    30  H   -0.162276
    31  H    0.659757
 Mulliken charges:
               1
     1  C   -0.390669
     2  C   -0.717465
     3  C   -0.155329
     4  C   -1.221223
     5  C   -0.336340
     6  C    0.005735
     7  C    0.014553
     8  H    0.176285
     9  H    0.462254
    10  H    0.585647
    11  C   -0.347547
    12  C    0.867404
    13  C    0.799148
    14  H    0.266512
    15  H    0.005254
    16  H    0.076723
    17  H    0.013773
    18  O   -0.517484
    19  O   -0.410022
    20  H    0.250245
    21  C   -0.229733
    22  C    0.187674
    23  C    0.075219
    24  O   -0.845099
    25  C    0.814083
    26  H    0.356781
    27  H    0.114201
    28  H    0.254031
    29  H    0.182972
    30  H   -0.521566
    31  H    0.183984
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.390669
     2  C   -0.717465
     3  C    0.020956
     4  C   -1.221223
     5  C    0.125914
     6  C    0.591381
     7  C    0.371335
    11  C   -0.081035
    12  C    0.963153
    13  C    0.799148
    18  O   -0.517484
    19  O   -0.159778
    21  C   -0.115532
    22  C    0.187674
    23  C    0.329251
    24  O   -0.845099
    25  C    0.659472
 Electronic spatial extent (au):  <R**2>=           5398.5255
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              5.1887    Y=              3.3207    Z=              0.7944  Tot=              6.2113
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -112.0059   YY=            -93.2790   ZZ=           -103.6979
   XY=             -5.3557   XZ=             -8.2983   YZ=             -4.5037
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.0117   YY=              9.7153   ZZ=             -0.7037
   XY=             -5.3557   XZ=             -8.2983   YZ=             -4.5037
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            209.6393  YYY=             -3.7949  ZZZ=             -5.8433  XYY=             10.6195
  XXY=             86.3269  XXZ=             17.1214  XZZ=              1.0776  YZZ=              1.4070
  YYZ=              1.0530  XYZ=              5.3123
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -6049.2345 YYYY=           -748.0038 ZZZZ=           -457.0012 XXXY=            -73.8981
 XXXZ=           -163.6789 YYYX=            -14.8766 YYYZ=            -16.8574 ZZZX=             -6.2327
 ZZZY=              0.6561 XXYY=          -1108.4456 XXZZ=          -1082.3084 YYZZ=           -220.3017
 XXYZ=            -44.5467 YYXZ=              1.3629 ZZXY=             -2.8264
 N-N= 1.136458378304D+03 E-N=-4.055124335444D+03  KE= 7.586716127534D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 23:39:44 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.03985586D+00 1.24897840D+00 2.79794449D-01
 Polarizability= 2.69966724D+02-8.74665879D+00 1.63259685D+02
                -9.92468520D+00-7.70018486D+00 1.12641812D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        4.9150    4.9124       -5.8074   -5.8146
 2     -4.9150   -4.9124        4.1218    4.1228      -57.5030  -57.4906
 3      5.8074    5.8146       84.8965   84.8925       -4.1214   -4.1228
 4     -4.1218   -4.1228        0.0000    0.0000        5.8123    5.8146
 5    -27.3936  -27.4020       -5.8123   -5.8146        4.9146    4.9124
 6      4.1214    4.1228       -4.9146   -4.9124       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000      -14.7372  -14.7372      -17.4437  -17.4437
 2    -12.3685  -12.3685       -0.0000    0.0000      -17.4437  -17.4437
 3    -12.3685  -12.3685      -14.7372  -14.7372        0.0000    0.0000
 4    -14.7372  -14.7372       12.3685   12.3685     -172.4717 -172.4717
 5     17.4437   17.4437      254.6776  254.6776      -12.3685  -12.3685
 6    -82.2059  -82.2059      -17.4437  -17.4437       14.7372   14.7372
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.3972    0.0000      -20.2475  -19.6496       22.9595   23.2582
 2     19.7301   19.6496      -16.9818  -16.4913      230.3199  229.9623
 3    -22.2609  -23.2582     -340.5653 -339.5701       16.3257   16.4913
 4     16.6848   16.4913       -0.0220    0.0000      -22.9760  -23.2582
 5    109.7955  109.6078       23.1643   23.2582      -19.8598  -19.6496
 6    -16.4218  -16.4913       19.3532   19.6496       -0.0803    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4035    0.0000       34.1585   34.0106        4.6717    4.6793
 2    -34.4887  -34.0106      -85.4841  -85.7457        4.3969    4.7981
 3     -4.6500   -4.6793       59.9288   59.9851       83.8835   85.7457
 4     85.6580   85.7457        0.0426    0.0000       -4.9147   -4.6793
 5    -64.2853  -64.7832        4.4953    4.6793       33.0162   34.0106
 6    -85.4315  -85.7457      -34.2454  -34.0106        0.3089    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     34.7778   35.5155       44.1814   43.5767        7.0174    7.0501
 2    177.4833  178.1415      110.9888  110.6438        6.6862    7.0501
 3    177.2841  178.1415       44.2586   43.5767       -1.2326   -0.7413
 4    -66.5084  -67.0671     -143.5584 -142.6260       18.0916   18.1111
 5     -8.7545   -7.7914       70.7008   69.4916      142.5970  142.6260
 6    -85.6089  -87.6026        6.9153    7.7914       65.7091   67.0671
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9330   -1.2631   -0.0005    0.0001    0.0007    3.6137
 Low frequencies ---   20.9639   30.9939   46.3843
 Diagonal vibrational polarizability:
      126.3919677     136.0127577      98.8231612
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     20.9332                30.9816                46.3837
 Red. masses --      4.6169                 7.2286                 5.1424
 Frc consts  --      0.0012                 0.0041                 0.0065
 IR Inten    --      2.4872                 5.1536                 0.2753
 RamAct Fr= 1--      3.7099                 2.3616                 3.0223
  Dep-P Fr= 1--      0.7442                 0.7426                 0.7436
  Dep-U Fr= 1--      0.8533                 0.8523                 0.8529
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0003
 Beta2  Fr= 1--      0.5276                 0.3354                 0.4296
 AlphaG Fr= 1--     -0.0018                 0.0079                 0.0028
 Gamma2 Fr= 1--      0.7166                -0.7126                 1.6174
 Delta2 Fr= 1--      0.8492                -0.7114                 0.5023
 Raman1 Fr= 1--      14.840                  9.446                 12.089
 ROA1   Fr= 1--      95.969                -91.172                171.349
 CID1   Fr= 1--       6.467                 -9.652                 14.174
 Raman2 Fr= 1--       6.331                  4.025                  5.156
 ROA2   Fr= 1--      10.405                -11.410                 34.800
 CID2   Fr= 1--       1.643                 -2.835                  6.750
 Raman3 Fr= 1--      12.663                  8.051                 10.312
 ROA3   Fr= 1--      95.969                -91.172                171.349
 CID3   Fr= 1--       7.579                -11.325                 16.617
 RC180  Fr= 1--       0.707                  0.705                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.11    -0.02   0.02   0.06    -0.02   0.03   0.09
     2   6     0.01   0.02   0.02    -0.01  -0.00  -0.00    -0.01   0.04   0.13
     3   6    -0.02   0.01  -0.14    -0.02   0.03   0.07    -0.02   0.04   0.07
     4   6     0.00   0.03  -0.07    -0.01   0.03   0.03    -0.01   0.04   0.07
     5   6     0.02   0.05   0.04    -0.01   0.01  -0.03     0.00   0.05   0.15
     6   6     0.02   0.04   0.09    -0.01  -0.00  -0.05     0.00   0.05   0.19
     7   6    -0.03  -0.02  -0.18    -0.03   0.02   0.11    -0.03   0.02   0.03
     8   1    -0.03   0.00  -0.23    -0.03   0.04   0.10    -0.03   0.03   0.02
     9   1     0.04   0.06   0.10    -0.00   0.01  -0.06     0.01   0.06   0.17
    10   1     0.04   0.05   0.17    -0.00  -0.02  -0.09     0.01   0.06   0.24
    11   6     0.00   0.05  -0.07    -0.01   0.02   0.01    -0.02   0.03  -0.06
    12   6     0.02   0.23  -0.04    -0.04   0.00  -0.01    -0.15   0.12  -0.08
    13   6     0.01  -0.08   0.06     0.07  -0.01  -0.02     0.09  -0.06  -0.05
    14   1    -0.00   0.01  -0.19    -0.02   0.01  -0.00    -0.01  -0.00  -0.16
    15   1     0.02   0.27   0.07    -0.06  -0.00  -0.01    -0.15   0.16   0.02
    16   1     0.02   0.24  -0.02    -0.04   0.00  -0.02    -0.15   0.09  -0.18
    17   1     0.03   0.30  -0.14    -0.06  -0.01   0.01    -0.23   0.18  -0.10
    18   8     0.09  -0.16   0.18     0.28  -0.35   0.06     0.07  -0.06  -0.10
    19   8    -0.08  -0.10   0.01    -0.09   0.36  -0.15     0.20  -0.14   0.02
    20   1    -0.12  -0.02  -0.09    -0.20   0.58  -0.21     0.20  -0.13   0.06
    21   6    -0.03  -0.03  -0.13    -0.03  -0.00   0.09    -0.04  -0.01  -0.03
    22   6    -0.01  -0.01  -0.01    -0.02  -0.02   0.02    -0.03  -0.01  -0.02
    23   6     0.01   0.01   0.06    -0.02  -0.02  -0.03    -0.01   0.01   0.08
    24   8    -0.01  -0.02   0.03    -0.03  -0.04  -0.01    -0.04  -0.04  -0.14
    25   6     0.02  -0.00   0.17    -0.02  -0.06  -0.10    -0.03  -0.06  -0.23
    26   1    -0.05  -0.03  -0.27    -0.03   0.03   0.16    -0.04   0.02   0.02
    27   1    -0.04  -0.04  -0.19    -0.04   0.00   0.12    -0.05  -0.02  -0.09
    28   1     0.03   0.02   0.16    -0.01  -0.03  -0.08    -0.00   0.01   0.09
    29   1     0.06   0.09   0.20    -0.04  -0.11  -0.11    -0.14  -0.06  -0.19
    30   1     0.02  -0.01   0.19    -0.02  -0.07  -0.11    -0.04  -0.09  -0.35
    31   1    -0.01  -0.07   0.23     0.01  -0.01  -0.14     0.09  -0.06  -0.21
                      4                      5                      6
                      A                      A                      A
 Frequencies --     90.6615               121.1625               144.1336
 Red. masses --      3.9827                 4.3007                 4.3281
 Frc consts  --      0.0193                 0.0372                 0.0530
 IR Inten    --      3.4036                 0.0874                 0.1758
 RamAct Fr= 1--      0.9727                 0.3800                 0.7701
  Dep-P Fr= 1--      0.7213                 0.4799                 0.6886
  Dep-U Fr= 1--      0.8381                 0.6486                 0.8156
 Alpha2 Fr= 1--      0.0005                 0.0021                 0.0008
 Beta2  Fr= 1--      0.1359                 0.0411                 0.1047
 AlphaG Fr= 1--     -0.0015                -0.0074                -0.0063
 Gamma2 Fr= 1--     -0.5998                 0.0036                 1.6229
 Delta2 Fr= 1--     -0.3547                 0.2212                 1.1395
 Raman1 Fr= 1--       3.891                  1.520                  3.080
 ROA1   Fr= 1--     -68.928                  7.419                192.264
 CID1   Fr= 1--     -17.715                  4.881                 62.417
 Raman2 Fr= 1--       1.630                  0.493                  1.256
 ROA2   Fr= 1--     -11.557                 -1.684                 29.833
 CID2   Fr= 1--      -7.088                 -3.416                 23.750
 Raman3 Fr= 1--       3.261                  0.986                  2.512
 ROA3   Fr= 1--     -68.928                  7.419                192.264
 CID3   Fr= 1--     -21.138                  7.526                 76.530
 RC180  Fr= 1--       0.676                  0.297                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.04   0.08  -0.10    -0.01  -0.09  -0.10
     2   6    -0.02   0.00  -0.09    -0.02   0.07  -0.06    -0.03  -0.09  -0.11
     3   6    -0.01   0.05   0.12    -0.03   0.10  -0.10    -0.01  -0.07  -0.00
     4   6    -0.01   0.05   0.09    -0.02   0.11  -0.03     0.01  -0.04   0.10
     5   6    -0.02   0.02  -0.03    -0.02   0.11  -0.01     0.00  -0.05   0.07
     6   6    -0.02  -0.00  -0.11    -0.01   0.09  -0.04    -0.01  -0.07  -0.05
     7   6    -0.04   0.01  -0.00    -0.10   0.05  -0.09     0.01  -0.08  -0.13
     8   1    -0.01   0.07   0.20    -0.04   0.10  -0.12    -0.02  -0.07  -0.01
     9   1    -0.01   0.02  -0.07    -0.00   0.12   0.02     0.01  -0.04   0.14
    10   1    -0.02  -0.02  -0.20    -0.00   0.09  -0.02    -0.00  -0.08  -0.07
    11   6    -0.01   0.02   0.06    -0.00   0.00   0.05     0.00   0.03   0.06
    12   6    -0.07  -0.01   0.04     0.12  -0.19   0.06    -0.13   0.14   0.03
    13   6     0.08  -0.01   0.02     0.06  -0.03   0.03     0.05   0.04   0.03
    14   1    -0.03   0.01   0.05    -0.12  -0.01   0.15     0.07   0.03  -0.01
    15   1    -0.04   0.00   0.05     0.28  -0.18  -0.06    -0.19   0.15   0.14
    16   1    -0.07  -0.07  -0.02     0.12  -0.34   0.14    -0.13   0.18  -0.07
    17   1    -0.14   0.01   0.06     0.07  -0.20   0.11    -0.17   0.17   0.02
    18   8     0.08  -0.03  -0.05     0.06  -0.05  -0.00     0.04   0.02  -0.03
    19   8     0.17  -0.01   0.07     0.12  -0.07   0.06     0.12   0.07   0.06
    20   1     0.16   0.01   0.13     0.11  -0.04   0.09     0.12   0.06   0.11
    21   6    -0.05  -0.02  -0.09    -0.09   0.02   0.01     0.02  -0.04  -0.04
    22   6    -0.04  -0.03  -0.12    -0.05   0.01   0.06     0.01  -0.01   0.03
    23   6    -0.03  -0.02  -0.15    -0.01   0.03  -0.00    -0.03  -0.05  -0.09
    24   8    -0.04  -0.04  -0.11    -0.05  -0.05   0.18     0.03   0.10   0.23
    25   6     0.00   0.02   0.26     0.01  -0.15  -0.07    -0.08   0.10  -0.09
    26   1    -0.05   0.03   0.06    -0.14   0.07  -0.13     0.04  -0.10  -0.17
    27   1    -0.05  -0.02  -0.09    -0.12   0.01   0.04     0.04  -0.02  -0.01
    28   1    -0.02  -0.04  -0.20     0.04   0.02   0.03    -0.06  -0.04  -0.07
    29   1     0.19   0.21   0.29     0.01  -0.33  -0.15    -0.09  -0.24  -0.23
    30   1     0.01   0.03   0.40    -0.01  -0.22  -0.04    -0.05   0.20   0.05
    31   1    -0.16  -0.15   0.38     0.09   0.01  -0.21    -0.19   0.33  -0.33
                      7                      8                      9
                      A                      A                      A
 Frequencies --    182.2079               188.3465               218.4087
 Red. masses --      3.3711                 3.4736                 1.0807
 Frc consts  --      0.0659                 0.0726                 0.0304
 IR Inten    --      0.5494                 1.9241                 0.6819
 RamAct Fr= 1--      3.6754                 1.9020                 0.3466
  Dep-P Fr= 1--      0.3579                 0.3279                 0.4184
  Dep-U Fr= 1--      0.5271                 0.4938                 0.5900
 Alpha2 Fr= 1--      0.0314                 0.0179                 0.0024
 Beta2  Fr= 1--      0.3229                 0.1565                 0.0341
 AlphaG Fr= 1--      0.0133                 0.0134                 0.0007
 Gamma2 Fr= 1--      1.8053                -3.1927                 0.0289
 Delta2 Fr= 1--     -0.9387                -0.0893                -0.0217
 Raman1 Fr= 1--      14.702                  7.608                  1.386
 ROA1   Fr= 1--     143.270               -309.354                  2.081
 CID1   Fr= 1--       9.745                -40.661                  1.501
 Raman2 Fr= 1--       3.875                  1.879                  0.409
 ROA2   Fr= 1--      50.837                -75.910                  0.867
 CID2   Fr= 1--      13.119                -40.408                  2.121
 Raman3 Fr= 1--       7.750                  3.757                  0.818
 ROA3   Fr= 1--     143.270               -309.354                  2.081
 CID3   Fr= 1--      18.487                -82.338                  2.544
 RC180  Fr= 1--       0.054                 -0.012                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.05    -0.02  -0.04  -0.07    -0.00   0.01   0.01
     2   6     0.02   0.04  -0.09    -0.02  -0.04  -0.07     0.00   0.00   0.00
     3   6     0.02  -0.00  -0.02    -0.03  -0.02  -0.15    -0.00   0.01   0.01
     4   6    -0.02  -0.02   0.06     0.02   0.02  -0.04     0.00   0.01   0.00
     5   6    -0.02   0.01   0.16     0.04   0.05   0.16     0.01   0.01  -0.00
     6   6    -0.02   0.04   0.05     0.03   0.01   0.10     0.01   0.01   0.00
     7   6     0.04   0.06   0.02    -0.02  -0.01   0.12    -0.01   0.00  -0.00
     8   1     0.07  -0.03  -0.06    -0.06  -0.02  -0.24    -0.00   0.01   0.01
     9   1    -0.03   0.02   0.28     0.06   0.09   0.34     0.01   0.01  -0.00
    10   1    -0.07   0.07   0.09     0.07   0.01   0.21     0.01   0.00  -0.00
    11   6    -0.04  -0.04   0.01     0.03   0.02  -0.03     0.00   0.02  -0.01
    12   6    -0.16  -0.00  -0.02     0.11  -0.01  -0.01    -0.02  -0.03  -0.03
    13   6    -0.05  -0.03  -0.00     0.03   0.01  -0.01     0.01   0.01  -0.00
    14   1    -0.01  -0.04  -0.03     0.00   0.02  -0.01     0.02   0.03   0.01
    15   1    -0.22  -0.01   0.02     0.16  -0.00  -0.05    -0.51  -0.28  -0.25
    16   1    -0.16   0.03  -0.12     0.12  -0.03   0.07    -0.01   0.51   0.06
    17   1    -0.19  -0.00   0.00     0.15  -0.01  -0.02     0.42  -0.37   0.10
    18   8    -0.06  -0.02  -0.00     0.03   0.01   0.01     0.02   0.00   0.03
    19   8    -0.08  -0.01  -0.02     0.02  -0.02  -0.01     0.00  -0.03   0.00
    20   1    -0.08  -0.02  -0.03     0.02  -0.02  -0.03    -0.00  -0.01  -0.02
    21   6     0.04   0.07   0.05    -0.01  -0.01   0.20    -0.01  -0.00  -0.01
    22   6     0.04   0.05  -0.05    -0.03  -0.04  -0.03    -0.00  -0.00  -0.00
    23   6     0.03   0.04  -0.17    -0.04  -0.07  -0.15    -0.00  -0.00  -0.01
    24   8     0.04  -0.03   0.04    -0.03   0.01  -0.08    -0.00   0.00   0.01
    25   6     0.20  -0.14   0.02    -0.13   0.09   0.03    -0.01   0.01  -0.00
    26   1     0.05   0.07   0.08    -0.02   0.01   0.24    -0.01   0.00  -0.01
    27   1     0.05   0.09   0.15    -0.00   0.03   0.39    -0.01  -0.01  -0.02
    28   1     0.04   0.02  -0.24    -0.05  -0.09  -0.25     0.00  -0.00  -0.01
    29   1     0.43  -0.24  -0.09    -0.06   0.09   0.01     0.01  -0.03  -0.02
    30   1     0.18  -0.24   0.27    -0.09   0.21   0.14    -0.01   0.02   0.04
    31   1     0.12  -0.02  -0.11    -0.30   0.06   0.03    -0.05   0.03  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    231.0049               259.1101               286.9122
 Red. masses --      1.4984                 2.4925                 2.7928
 Frc consts  --      0.0471                 0.0986                 0.1355
 IR Inten    --      2.2999                 8.1307                 0.1718
 RamAct Fr= 1--      1.6678                 0.9713                 1.2194
  Dep-P Fr= 1--      0.6509                 0.7453                 0.5211
  Dep-U Fr= 1--      0.7885                 0.8541                 0.6852
 Alpha2 Fr= 1--      0.0030                 0.0001                 0.0054
 Beta2  Fr= 1--      0.2192                 0.1383                 0.1393
 AlphaG Fr= 1--      0.0021                -0.0007                -0.0051
 Gamma2 Fr= 1--      0.7031                -1.0284                 0.6058
 Delta2 Fr= 1--      0.0678                 0.3166                -0.0131
 Raman1 Fr= 1--       6.671                  3.885                  4.877
 ROA1   Fr= 1--      69.670                -88.590                 57.739
 CID1   Fr= 1--      10.443                -22.802                 11.838
 Raman2 Fr= 1--       2.630                  1.659                  1.671
 ROA2   Fr= 1--      16.333                -27.214                 14.645
 CID2   Fr= 1--       6.210                -16.403                  8.764
 Raman3 Fr= 1--       5.260                  3.318                  3.342
 ROA3   Fr= 1--      69.670                -88.590                 57.739
 CID3   Fr= 1--      13.244                -26.698                 17.277
 RC180  Fr= 1--       0.577                  0.708                  0.370
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.08    -0.02  -0.02   0.00     0.00   0.02   0.08
     2   6     0.01   0.01   0.04    -0.04   0.01   0.05    -0.02   0.00  -0.04
     3   6     0.01   0.03   0.08    -0.02  -0.07  -0.05     0.01   0.01   0.14
     4   6     0.01   0.02  -0.00    -0.03  -0.08  -0.04     0.01  -0.02   0.02
     5   6     0.02   0.02  -0.00    -0.07  -0.06  -0.03    -0.02   0.00   0.08
     6   6     0.02   0.01   0.04    -0.07  -0.01   0.02    -0.02   0.02   0.05
     7   6    -0.01  -0.00   0.01     0.00   0.00   0.01    -0.01   0.01   0.01
     8   1     0.00   0.04   0.11    -0.00  -0.08  -0.07     0.02   0.02   0.20
     9   1     0.03   0.02  -0.04    -0.10  -0.09  -0.05    -0.03  -0.01   0.11
    10   1     0.04   0.01   0.04    -0.09   0.00   0.03    -0.03   0.02   0.07
    11   6     0.01   0.00  -0.03    -0.01  -0.04   0.02     0.02  -0.04  -0.04
    12   6     0.04  -0.03  -0.03     0.14   0.12   0.09     0.17   0.07   0.02
    13   6    -0.01  -0.01  -0.02     0.00  -0.02   0.01    -0.00  -0.04  -0.04
    14   1    -0.01  -0.00  -0.02     0.01  -0.04  -0.02     0.01  -0.05  -0.07
    15   1     0.14   0.01  -0.02     0.03   0.09   0.11     0.15   0.07   0.04
    16   1     0.04  -0.14  -0.02     0.15   0.32   0.26     0.18   0.17   0.20
    17   1    -0.03   0.02  -0.04     0.37   0.10  -0.04     0.34   0.08  -0.10
    18   8    -0.01   0.01   0.02    -0.01  -0.03  -0.09    -0.03  -0.01  -0.06
    19   8    -0.05  -0.03  -0.04     0.08   0.06   0.03    -0.03  -0.01  -0.07
    20   1    -0.05  -0.03  -0.07     0.09   0.04   0.12    -0.02  -0.05  -0.08
    21   6    -0.01  -0.03  -0.07    -0.00   0.04   0.01    -0.02  -0.00  -0.09
    22   6    -0.00  -0.02  -0.04    -0.03   0.05  -0.00    -0.03   0.01  -0.06
    23   6     0.00  -0.02  -0.02    -0.04   0.05   0.05    -0.03  -0.01  -0.15
    24   8     0.00   0.00   0.03    -0.03   0.00  -0.06    -0.02   0.02   0.14
    25   6    -0.04   0.02  -0.01     0.08  -0.06   0.00    -0.00  -0.02   0.01
    26   1    -0.02  -0.00  -0.01     0.03  -0.01   0.01    -0.01   0.01   0.03
    27   1    -0.02  -0.05  -0.14     0.03   0.06   0.01    -0.01  -0.00  -0.13
    28   1     0.01  -0.03  -0.06    -0.06   0.06   0.03    -0.03  -0.01  -0.16
    29   1     0.29  -0.30  -0.25     0.39  -0.20  -0.15    -0.30   0.13   0.16
    30   1     0.01   0.15   0.51     0.07  -0.09   0.38    -0.04  -0.12  -0.40
    31   1    -0.45   0.24  -0.29    -0.15   0.07  -0.16     0.35  -0.10   0.16
                     13                     14                     15
                      A                      A                      A
 Frequencies --    331.7930               358.9141               400.9435
 Red. masses --      4.5733                 5.4237                 5.1285
 Frc consts  --      0.2966                 0.4117                 0.4857
 IR Inten    --      4.6755                 4.2088                 0.5973
 RamAct Fr= 1--      1.1686                12.1432                 1.0183
  Dep-P Fr= 1--      0.1633                 0.1628                 0.6613
  Dep-U Fr= 1--      0.2808                 0.2800                 0.7961
 Alpha2 Fr= 1--      0.0175                 0.1817                 0.0016
 Beta2  Fr= 1--      0.0547                 0.5667                 0.1351
 AlphaG Fr= 1--      0.0364                -0.0691                 0.0162
 Gamma2 Fr= 1--      1.1702                -2.8768                -1.9022
 Delta2 Fr= 1--      0.1992                -0.3636                -0.2955
 Raman1 Fr= 1--       4.674                 48.573                  4.073
 ROA1   Fr= 1--     118.715               -287.807               -192.066
 CID1   Fr= 1--      25.397                 -5.925                -47.152
 Raman2 Fr= 1--       0.656                  6.800                  1.621
 ROA2   Fr= 1--      26.491                -66.135                -43.289
 CID2   Fr= 1--      40.364                 -9.725                -26.698
 Raman3 Fr= 1--       1.313                 13.600                  3.243
 ROA3   Fr= 1--     118.715               -287.807               -192.066
 CID3   Fr= 1--      90.443                -21.162                -59.226
 RC180  Fr= 1--      -0.438                 -0.440                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12   0.05    -0.09  -0.07   0.06    -0.05  -0.06  -0.11
     2   6    -0.12  -0.10   0.03    -0.01  -0.13   0.04    -0.03  -0.07  -0.08
     3   6    -0.10  -0.08   0.03    -0.15   0.10  -0.02    -0.04   0.07   0.18
     4   6    -0.01  -0.02  -0.01    -0.11   0.15  -0.08     0.01   0.11   0.20
     5   6    -0.03  -0.03   0.01     0.04   0.10  -0.04     0.03   0.08   0.11
     6   6    -0.05  -0.08   0.03     0.07  -0.07   0.06     0.02  -0.04  -0.12
     7   6     0.00  -0.07   0.02     0.00  -0.04   0.04    -0.03  -0.06  -0.19
     8   1    -0.17  -0.04   0.03    -0.25   0.16  -0.02    -0.10   0.12   0.26
     9   1    -0.03  -0.04   0.01     0.18   0.18  -0.07     0.07   0.11   0.12
    10   1     0.01  -0.11   0.05     0.17  -0.12   0.10     0.07  -0.09  -0.22
    11   6     0.04   0.12  -0.07    -0.18   0.12  -0.01     0.01  -0.01   0.02
    12   6     0.03  -0.07  -0.12     0.02  -0.01   0.04     0.07   0.03   0.06
    13   6     0.08   0.12  -0.02    -0.14   0.01   0.01     0.03  -0.05  -0.06
    14   1     0.09   0.16  -0.01    -0.26   0.11   0.05    -0.05  -0.04   0.01
    15   1     0.21  -0.05  -0.23     0.08  -0.05  -0.13     0.07   0.04   0.08
    16   1     0.03  -0.29  -0.15     0.03  -0.03   0.22     0.08   0.10   0.19
    17   1    -0.12  -0.08  -0.02     0.12  -0.09   0.07     0.19   0.04  -0.02
    18   8     0.14   0.11   0.17    -0.09  -0.15  -0.10     0.01   0.00  -0.07
    19   8     0.03  -0.05  -0.03     0.03   0.01   0.10    -0.10  -0.09  -0.15
    20   1     0.01  -0.00  -0.15    -0.03   0.13   0.19    -0.07  -0.15  -0.27
    21   6     0.00   0.06  -0.03     0.04  -0.04  -0.03     0.00   0.03   0.16
    22   6    -0.05   0.10  -0.03     0.12  -0.05  -0.04     0.02   0.03   0.17
    23   6    -0.13   0.03  -0.02     0.01  -0.12  -0.03    -0.02  -0.01   0.12
    24   8    -0.05   0.10   0.00     0.16   0.08   0.01     0.01   0.03  -0.13
    25   6     0.17  -0.04  -0.00     0.18   0.10  -0.03     0.07   0.02  -0.02
    26   1     0.11  -0.12   0.04     0.08  -0.08   0.06    -0.02  -0.11  -0.35
    27   1     0.07   0.11  -0.05    -0.02  -0.08  -0.03     0.00   0.03   0.21
    28   1    -0.21   0.08  -0.03    -0.05  -0.09  -0.04    -0.05  -0.01   0.07
    29   1     0.28   0.01  -0.01     0.15   0.10  -0.01     0.22   0.05  -0.05
    30   1     0.11  -0.27   0.00     0.17   0.06  -0.08     0.06  -0.02   0.12
    31   1     0.33   0.00  -0.01     0.25   0.10  -0.02    -0.00   0.01  -0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    414.5702               465.6080               481.8818
 Red. masses --      3.2747                 4.0224                 4.9630
 Frc consts  --      0.3316                 0.5138                 0.6790
 IR Inten    --      0.3533                21.5460                 4.0466
 RamAct Fr= 1--      4.5796                 0.7079                 3.1353
  Dep-P Fr= 1--      0.7489                 0.6585                 0.1952
  Dep-U Fr= 1--      0.8564                 0.7941                 0.3266
 Alpha2 Fr= 1--      0.0001                 0.0012                 0.0431
 Beta2  Fr= 1--      0.6537                 0.0937                 0.1707
 AlphaG Fr= 1--     -0.0058                 0.0138                 0.0086
 Gamma2 Fr= 1--      0.4556                -0.6632                 0.8212
 Delta2 Fr= 1--     -0.3791                -0.0514                -0.0938
 Raman1 Fr= 1--      18.319                  2.832                 12.541
 ROA1   Fr= 1--      31.604                -65.309                 75.830
 CID1   Fr= 1--       1.725                -23.063                  6.046
 Raman2 Fr= 1--       7.844                  1.124                  2.048
 ROA2   Fr= 1--      13.967                -15.505                 20.459
 CID2   Fr= 1--       1.781                -13.791                  9.990
 Raman3 Fr= 1--      15.689                  2.249                  4.096
 ROA3   Fr= 1--      31.604                -65.309                 75.830
 CID3   Fr= 1--       2.014                -29.043                 18.514
 RC180  Fr= 1--       0.713                  0.588                 -0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.06    -0.00   0.08  -0.01    -0.06   0.09  -0.01
     2   6     0.01   0.02   0.05     0.03   0.05  -0.06    -0.04   0.08   0.05
     3   6     0.02   0.01   0.13    -0.03  -0.06   0.07    -0.06   0.00  -0.06
     4   6    -0.01  -0.03  -0.06    -0.10  -0.10   0.06    -0.07  -0.03   0.00
     5   6    -0.02  -0.05  -0.17    -0.10  -0.12   0.12    -0.15  -0.01  -0.07
     6   6     0.01   0.04   0.21    -0.11  -0.02  -0.06    -0.13   0.08   0.06
     7   6    -0.01  -0.03  -0.20     0.01   0.09  -0.05    -0.07   0.08   0.01
     8   1     0.05   0.04   0.35     0.09  -0.13   0.05    -0.02  -0.02  -0.07
     9   1    -0.04  -0.08  -0.33    -0.13  -0.13   0.20    -0.22  -0.07  -0.14
    10   1     0.01   0.09   0.41    -0.26   0.05  -0.11    -0.21   0.12   0.06
    11   6    -0.01   0.01  -0.02    -0.11   0.16  -0.09     0.01  -0.09   0.07
    12   6    -0.01  -0.01  -0.03     0.09   0.00  -0.10    -0.03   0.01   0.12
    13   6    -0.02   0.01   0.02    -0.08   0.13  -0.05     0.14  -0.01  -0.03
    14   1     0.01   0.02  -0.01     0.04   0.23  -0.03    -0.05  -0.10   0.07
    15   1    -0.01  -0.02  -0.04     0.29  -0.00  -0.30    -0.08   0.05   0.26
    16   1    -0.01  -0.03  -0.05     0.10  -0.15   0.13    -0.03   0.09   0.10
    17   1    -0.04  -0.02  -0.00     0.14  -0.05  -0.07    -0.01   0.09   0.01
    18   8    -0.00  -0.01   0.02     0.03  -0.03   0.04     0.10   0.12   0.06
    19   8     0.03   0.03   0.04     0.06  -0.04   0.05    -0.01  -0.03  -0.14
    20   1     0.03   0.03   0.09    -0.11   0.29  -0.05     0.11  -0.25  -0.21
    21   6     0.01   0.03   0.16     0.02   0.02   0.01    -0.04  -0.12   0.02
    22   6     0.00   0.01   0.05     0.10  -0.03   0.06     0.08  -0.16  -0.02
    23   6    -0.00  -0.02  -0.14     0.08  -0.00   0.03     0.00  -0.17  -0.01
    24   8    -0.00  -0.02  -0.02     0.11  -0.11  -0.02     0.16   0.02   0.01
    25   6    -0.02  -0.01   0.00    -0.06   0.01   0.00     0.12   0.11  -0.03
    26   1    -0.03  -0.06  -0.38    -0.01   0.09  -0.11    -0.16   0.14   0.04
    27   1     0.02   0.05   0.27    -0.06  -0.04  -0.01    -0.22  -0.24   0.09
    28   1    -0.01  -0.06  -0.35     0.09  -0.01   0.02     0.09  -0.21  -0.02
    29   1    -0.04   0.03   0.03    -0.16  -0.03   0.01     0.08   0.09  -0.02
    30   1    -0.02   0.00  -0.03     0.00   0.21  -0.01     0.13   0.13  -0.06
    31   1    -0.01  -0.04   0.04    -0.20  -0.04   0.01     0.12   0.10  -0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --    486.1414               509.7037               533.8700
 Red. masses --      2.5453                 3.9595                 3.2844
 Frc consts  --      0.3544                 0.6061                 0.5515
 IR Inten    --     15.4270                13.0543                 9.8064
 RamAct Fr= 1--      0.1352                 4.0530                 3.1292
  Dep-P Fr= 1--      0.6536                 0.6345                 0.6501
  Dep-U Fr= 1--      0.7905                 0.7764                 0.7880
 Alpha2 Fr= 1--      0.0002                 0.0085                 0.0056
 Beta2  Fr= 1--      0.0178                 0.5245                 0.4109
 AlphaG Fr= 1--     -0.0003                 0.0339                 0.0513
 Gamma2 Fr= 1--     -0.2787                 0.2720                -1.3554
 Delta2 Fr= 1--      0.0169                 0.7654                -0.2049
 Raman1 Fr= 1--       0.541                 16.212                 12.517
 ROA1   Fr= 1--     -26.210                 50.602               -136.676
 CID1   Fr= 1--     -48.461                  3.121                -10.919
 Raman2 Fr= 1--       0.214                  6.294                  4.931
 ROA2   Fr= 1--      -6.823                  0.405                -30.891
 CID2   Fr= 1--     -31.917                  0.064                 -6.264
 Raman3 Fr= 1--       0.428                 12.587                  9.863
 ROA3   Fr= 1--     -26.210                 50.602               -136.676
 CID3   Fr= 1--     -61.305                  4.020                -13.858
 RC180  Fr= 1--       0.581                  0.553                  0.576
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.21    -0.03  -0.04  -0.02     0.03  -0.08   0.02
     2   6     0.01   0.03   0.18     0.04  -0.04   0.07    -0.07  -0.03   0.01
     3   6    -0.01  -0.02  -0.11    -0.05  -0.01  -0.06    -0.01   0.08  -0.01
     4   6     0.01   0.01   0.03    -0.04   0.02   0.03    -0.04   0.09  -0.02
     5   6     0.01   0.01   0.05     0.03  -0.05  -0.09    -0.13   0.14   0.00
     6   6     0.00  -0.02  -0.10     0.05  -0.07   0.08    -0.12  -0.00  -0.00
     7   6    -0.01  -0.02  -0.10     0.04   0.02   0.02     0.16  -0.06  -0.01
     8   1    -0.03  -0.08  -0.44    -0.07  -0.01  -0.08    -0.11   0.13   0.01
     9   1     0.01   0.00  -0.03     0.09  -0.03  -0.20    -0.11   0.15   0.00
    10   1    -0.01  -0.08  -0.41     0.06  -0.08   0.09    -0.06  -0.04  -0.02
    11   6     0.00  -0.00   0.00    -0.05   0.09   0.12    -0.03  -0.04  -0.03
    12   6    -0.00  -0.00   0.01    -0.05   0.01   0.20     0.00  -0.00  -0.03
    13   6     0.00  -0.00   0.00     0.02   0.10  -0.06     0.04  -0.05   0.01
    14   1    -0.00  -0.01   0.00    -0.03   0.14   0.25    -0.13  -0.09  -0.09
    15   1     0.00   0.00   0.01    -0.02   0.02   0.20     0.00   0.00  -0.02
    16   1    -0.00   0.00   0.00    -0.05   0.01   0.24     0.01   0.02   0.01
    17   1    -0.00   0.00   0.00    -0.04   0.03   0.18     0.04   0.00  -0.06
    18   8    -0.00   0.00  -0.00     0.08   0.00  -0.06     0.00   0.03   0.05
    19   8    -0.00  -0.01   0.00    -0.05  -0.15  -0.10     0.00   0.07  -0.03
    20   1    -0.03   0.06  -0.02    -0.19   0.13  -0.44     0.30  -0.51   0.25
    21   6     0.00   0.01   0.05     0.03   0.14  -0.03     0.16   0.02  -0.01
    22   6     0.00   0.02   0.07     0.04   0.08  -0.09     0.06   0.04   0.00
    23   6    -0.01  -0.02  -0.12     0.04   0.09  -0.05    -0.03   0.02   0.00
    24   8    -0.01   0.00  -0.01     0.02  -0.10   0.04     0.06  -0.12   0.01
    25   6    -0.00  -0.00   0.00    -0.10  -0.06   0.02    -0.09  -0.07   0.02
    26   1    -0.03  -0.09  -0.45     0.16  -0.02   0.10     0.26  -0.12  -0.03
    27   1    -0.00  -0.01  -0.12     0.09   0.19   0.03     0.25   0.07  -0.05
    28   1    -0.04  -0.08  -0.49    -0.07   0.15  -0.03    -0.11   0.05  -0.02
    29   1    -0.01   0.03   0.02    -0.22  -0.09   0.04    -0.20  -0.10   0.04
    30   1    -0.01  -0.02  -0.04    -0.06   0.10  -0.03    -0.04   0.12  -0.02
    31   1     0.02  -0.02   0.03    -0.18  -0.08   0.03    -0.21  -0.10   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    540.3178               578.2447               604.1917
 Red. masses --      2.9527                 1.7093                 2.7736
 Frc consts  --      0.5079                 0.3367                 0.5965
 IR Inten    --     11.6925                42.3043                 2.1626
 RamAct Fr= 1--     13.6270                 1.5538                 2.9044
  Dep-P Fr= 1--      0.2957                 0.2352                 0.4948
  Dep-U Fr= 1--      0.4565                 0.3808                 0.6621
 Alpha2 Fr= 1--      0.1415                 0.0192                 0.0147
 Beta2  Fr= 1--      1.0368                 0.0986                 0.3205
 AlphaG Fr= 1--     -0.3304                 0.1742                -0.0284
 Gamma2 Fr= 1--      2.5113                 1.1772                -0.2087
 Delta2 Fr= 1--      0.4234                 0.2175                 0.1089
 Raman1 Fr= 1--      54.508                  6.215                 11.618
 ROA1   Fr= 1--     254.639                119.972                -16.550
 CID1   Fr= 1--       4.672                 19.303                 -1.425
 Raman2 Fr= 1--      12.441                  1.183                  3.846
 ROA2   Fr= 1--      56.885                 26.513                 -5.880
 CID2   Fr= 1--       4.572                 22.404                 -1.529
 Raman3 Fr= 1--      24.882                  2.367                  7.692
 ROA3   Fr= 1--     254.639                119.972                -16.550
 CID3   Fr= 1--      10.234                 50.690                 -2.152
 RC180  Fr= 1--      -0.087                 -0.238                  0.324
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.03  -0.01    -0.05  -0.01   0.01     0.02   0.02   0.09
     2   6    -0.05   0.06  -0.00    -0.03  -0.04  -0.02     0.01  -0.03  -0.16
     3   6     0.10   0.03  -0.01    -0.04   0.02   0.02     0.01   0.01   0.00
     4   6     0.03   0.02  -0.00     0.00   0.02  -0.04    -0.03  -0.03  -0.19
     5   6    -0.09   0.08  -0.02    -0.01   0.03  -0.00     0.01  -0.01   0.01
     6   6    -0.09   0.09  -0.00    -0.00  -0.02   0.00     0.01  -0.01  -0.00
     7   6     0.12  -0.09   0.01    -0.02   0.02  -0.00     0.00  -0.00   0.06
     8   1     0.08   0.04  -0.03    -0.08   0.04   0.02     0.04   0.04   0.21
     9   1    -0.15   0.05  -0.01     0.01   0.06   0.06     0.05   0.07   0.38
    10   1    -0.08   0.09   0.02     0.04  -0.03   0.06     0.02   0.06   0.36
    11   6     0.00   0.06   0.03     0.04  -0.12  -0.02    -0.02   0.00   0.03
    12   6    -0.01   0.01   0.03     0.00  -0.01  -0.03    -0.04  -0.00   0.09
    13   6    -0.04   0.08  -0.02     0.05  -0.08   0.03     0.00   0.05  -0.02
    14   1     0.06   0.10   0.11    -0.05  -0.16  -0.06    -0.03   0.02   0.11
    15   1     0.01   0.01   0.01    -0.07   0.01   0.09    -0.08   0.00   0.14
    16   1    -0.01  -0.01   0.03     0.00   0.06  -0.09    -0.05   0.02   0.04
    17   1    -0.02  -0.00   0.06     0.01   0.04  -0.09    -0.07   0.02   0.07
    18   8     0.01  -0.02  -0.05    -0.04   0.06   0.03     0.04   0.01   0.01
    19   8     0.00  -0.09   0.03     0.05  -0.00   0.03     0.01  -0.02  -0.03
    20   1    -0.37   0.64  -0.33    -0.36   0.80  -0.24     0.06  -0.12  -0.02
    21   6     0.12  -0.15   0.02    -0.02   0.06  -0.01    -0.01  -0.02  -0.05
    22   6    -0.06  -0.05   0.00     0.04   0.03   0.02     0.01   0.04   0.24
    23   6    -0.06  -0.05   0.01    -0.01   0.00   0.00     0.01   0.00  -0.02
    24   8    -0.07   0.05  -0.00     0.06  -0.05  -0.00    -0.02   0.00  -0.05
    25   6     0.01  -0.02   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.06  -0.06   0.03     0.03  -0.01  -0.03    -0.03  -0.05  -0.25
    27   1     0.19  -0.10   0.02    -0.04   0.04  -0.05    -0.03  -0.10  -0.53
    28   1     0.04  -0.10   0.03    -0.07   0.04  -0.01     0.01  -0.05  -0.26
    29   1     0.08   0.00  -0.01    -0.06  -0.02   0.01     0.04   0.03  -0.00
    30   1    -0.02  -0.13   0.02     0.02   0.09  -0.01    -0.01  -0.02   0.02
    31   1     0.08   0.01  -0.01    -0.07  -0.02   0.01    -0.01  -0.02   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    636.0611               688.6525               694.7396
 Red. masses --      5.3781                 5.2760                 3.7411
 Frc consts  --      1.2820                 1.4742                 1.0639
 IR Inten    --      2.4628                 4.1390                10.8455
 RamAct Fr= 1--      0.6713                 2.5842                 0.2020
  Dep-P Fr= 1--      0.7435                 0.1604                 0.3243
  Dep-U Fr= 1--      0.8529                 0.2764                 0.4898
 Alpha2 Fr= 1--      0.0001                 0.0389                 0.0019
 Beta2  Fr= 1--      0.0954                 0.1190                 0.0165
 AlphaG Fr= 1--      0.0041                -0.1332                -0.0130
 Gamma2 Fr= 1--      0.2655                -1.0533                -0.1675
 Delta2 Fr= 1--      0.1247                -0.0510                -0.0061
 Raman1 Fr= 1--       2.685                 10.337                  0.808
 ROA1   Fr= 1--      29.479               -102.750                -16.279
 CID1   Fr= 1--      10.978                 -9.940                -20.148
 Raman2 Fr= 1--       1.145                  1.429                  0.198
 ROA2   Fr= 1--       5.375                -24.871                 -3.972
 CID2   Fr= 1--       4.694                -17.410                -20.073
 Raman3 Fr= 1--       2.290                  2.857                  0.396
 ROA3   Fr= 1--      29.479               -102.750                -16.279
 CID3   Fr= 1--      12.872                -35.964                -41.136
 RC180  Fr= 1--       0.706                 -0.447                 -0.020
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.01   0.02    -0.06   0.05   0.06    -0.03   0.01  -0.11
     2   6    -0.18   0.03  -0.01    -0.05   0.04   0.02    -0.01   0.01  -0.03
     3   6    -0.10  -0.17   0.02    -0.09  -0.09   0.08    -0.06  -0.05  -0.05
     4   6     0.15  -0.05  -0.01    -0.03  -0.06  -0.16    -0.01   0.03   0.25
     5   6     0.06   0.06  -0.03     0.16  -0.01   0.06     0.06  -0.04  -0.08
     6   6     0.03   0.21  -0.03     0.14   0.12  -0.11     0.08   0.07   0.09
     7   6     0.04   0.13  -0.00     0.13   0.14  -0.13     0.09   0.10   0.10
     8   1    -0.18  -0.12   0.06    -0.08  -0.08   0.17    -0.05  -0.10  -0.24
     9   1    -0.13  -0.05   0.05     0.14   0.01   0.28     0.04  -0.11  -0.46
    10   1     0.11   0.18   0.03     0.17   0.12  -0.07     0.07   0.05  -0.01
    11   6     0.20   0.08   0.06    -0.12  -0.06  -0.03    -0.08  -0.00  -0.03
    12   6     0.03   0.01  -0.03    -0.06  -0.02   0.11     0.00   0.00  -0.03
    13   6    -0.00   0.05   0.08    -0.07   0.00  -0.11    -0.01  -0.07  -0.03
    14   1     0.29   0.11   0.08    -0.15  -0.04   0.06    -0.10  -0.03  -0.11
    15   1    -0.10  -0.05  -0.06    -0.02   0.03   0.21     0.13   0.02  -0.10
    16   1     0.01  -0.02  -0.34    -0.05   0.02   0.24     0.02  -0.03   0.20
    17   1    -0.17  -0.07   0.18     0.03   0.07  -0.05     0.13  -0.01  -0.09
    18   8     0.01  -0.08  -0.16    -0.03   0.02   0.14    -0.05   0.02   0.06
    19   8    -0.12  -0.03   0.09     0.12   0.01  -0.10     0.05   0.02  -0.05
    20   1    -0.01  -0.25  -0.03     0.08   0.10   0.14    -0.00   0.13   0.06
    21   6     0.05   0.06  -0.03     0.15  -0.00   0.06     0.07  -0.03  -0.10
    22   6     0.06  -0.00   0.05    -0.02  -0.06  -0.14     0.00   0.02   0.20
    23   6    -0.16  -0.10   0.02    -0.10  -0.09   0.07    -0.04  -0.06  -0.05
    24   8     0.10  -0.09  -0.00    -0.07   0.04   0.02    -0.05   0.02  -0.03
    25   6     0.00  -0.02   0.00    -0.04  -0.05   0.01    -0.02  -0.03   0.00
    26   1     0.10   0.09  -0.06     0.16   0.13  -0.10     0.09   0.10   0.09
    27   1    -0.05  -0.02  -0.12     0.12   0.02   0.31     0.03  -0.10  -0.40
    28   1    -0.24  -0.07  -0.05    -0.06  -0.07   0.26    -0.03  -0.12  -0.30
    29   1    -0.09  -0.04   0.02     0.01  -0.05   0.00     0.03   0.00   0.00
    30   1     0.04   0.14  -0.03    -0.06  -0.13   0.03    -0.04  -0.09   0.02
    31   1    -0.10  -0.05   0.01     0.03  -0.02  -0.00     0.01  -0.03   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    739.1923               778.3293               785.0927
 Red. masses --      5.4954                 3.5966                 2.7592
 Frc consts  --      1.7691                 1.2837                 1.0020
 IR Inten    --      5.1013                 0.8418                 0.3794
 RamAct Fr= 1--     19.4920                39.3672                15.8660
  Dep-P Fr= 1--      0.0457                 0.0764                 0.0920
  Dep-U Fr= 1--      0.0874                 0.1419                 0.1684
 Alpha2 Fr= 1--      0.3890                 0.7300                 0.2833
 Beta2  Fr= 1--      0.2838                 0.9309                 0.4454
 AlphaG Fr= 1--     -0.1825                 0.1103                -0.1251
 Gamma2 Fr= 1--     -2.3772                 2.7241                -0.2804
 Delta2 Fr= 1--      0.0505                 0.6805                 0.1592
 Raman1 Fr= 1--      77.968                157.469                 63.464
 ROA1   Fr= 1--    -226.595                283.287                -21.826
 CID1   Fr= 1--      -2.906                  1.799                 -0.344
 Raman2 Fr= 1--       3.405                 11.171                  5.344
 ROA2   Fr= 1--     -57.457                 59.934                 -8.004
 CID2   Fr= 1--     -16.872                  5.365                 -1.498
 Raman3 Fr= 1--       6.811                 22.342                 10.689
 ROA3   Fr= 1--    -226.595                283.287                -21.826
 CID3   Fr= 1--     -33.269                 12.680                 -2.042
 RC180  Fr= 1--      -0.825                 -0.716                 -0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.10   0.03    -0.01  -0.05   0.15     0.03   0.07   0.17
     2   6     0.05  -0.03  -0.01     0.01   0.07  -0.15    -0.03  -0.09  -0.18
     3   6    -0.06   0.06  -0.01    -0.07  -0.11  -0.00     0.05   0.05  -0.05
     4   6    -0.12   0.01  -0.05    -0.01  -0.01   0.06     0.03   0.03   0.11
     5   6     0.01  -0.11   0.01     0.03  -0.02  -0.07    -0.02  -0.00  -0.07
     6   6    -0.00  -0.15   0.01     0.05   0.19  -0.01    -0.02  -0.09   0.09
     7   6     0.13   0.19  -0.07    -0.04  -0.19   0.01     0.01   0.09  -0.04
     8   1     0.01   0.03   0.04    -0.11  -0.14  -0.21     0.04  -0.02  -0.39
     9   1     0.14  -0.00   0.15    -0.08  -0.06   0.07     0.03   0.02  -0.12
    10   1    -0.06  -0.09   0.14    -0.01   0.28   0.20     0.03  -0.09   0.20
    11   6    -0.05   0.08   0.00    -0.09   0.08  -0.02     0.05  -0.03   0.01
    12   6     0.01   0.01  -0.05    -0.03   0.01   0.02     0.02  -0.00  -0.02
    13   6     0.24  -0.13   0.20     0.09  -0.12   0.06    -0.06   0.05  -0.04
    14   1    -0.23  -0.08  -0.28    -0.17  -0.02  -0.23     0.12   0.02   0.10
    15   1     0.08  -0.05  -0.28     0.13  -0.02  -0.23    -0.03   0.01   0.07
    16   1     0.01  -0.09   0.01    -0.02  -0.11   0.23     0.02   0.05  -0.09
    17   1     0.02  -0.12   0.09     0.06  -0.10   0.10    -0.01   0.04  -0.05
    18   8     0.06   0.09  -0.15    -0.01   0.04  -0.02    -0.01  -0.03   0.02
    19   8    -0.14   0.01   0.10    -0.02   0.02  -0.02     0.02  -0.01  -0.01
    20   1    -0.13  -0.02  -0.33    -0.02   0.03  -0.07     0.03  -0.03   0.08
    21   6     0.13  -0.03   0.02    -0.01  -0.03   0.08     0.01   0.05   0.09
    22   6    -0.01  -0.05  -0.03    -0.02   0.01  -0.06     0.00  -0.02  -0.06
    23   6     0.01  -0.08   0.03     0.07   0.10  -0.02    -0.05  -0.06   0.00
    24   8    -0.12   0.08  -0.00     0.03  -0.02   0.00    -0.01   0.01  -0.00
    25   6    -0.05  -0.05   0.01     0.02   0.02  -0.00    -0.01  -0.01   0.00
    26   1     0.10   0.19  -0.11    -0.02  -0.26  -0.22    -0.03   0.04  -0.38
    27   1     0.05  -0.07   0.06     0.11   0.02  -0.09    -0.08  -0.04  -0.16
    28   1     0.08  -0.10   0.10     0.16   0.14   0.36    -0.04   0.08   0.61
    29   1     0.05  -0.02  -0.00    -0.01   0.01  -0.00     0.01  -0.01  -0.00
    30   1    -0.10  -0.22   0.05     0.03   0.08  -0.00    -0.01  -0.02   0.03
    31   1     0.06  -0.01  -0.00    -0.02   0.02  -0.01     0.00   0.00  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    820.4058               833.7445               840.2338
 Red. masses --      1.4953                 1.6597                 2.6882
 Frc consts  --      0.5930                 0.6797                 1.1182
 IR Inten    --      9.0106                12.6070                11.6499
 RamAct Fr= 1--      0.9570                 0.2081                 2.5119
  Dep-P Fr= 1--      0.3305                 0.7499                 0.7477
  Dep-U Fr= 1--      0.4969                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0089                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0792                 0.0297                 0.3582
 AlphaG Fr= 1--     -0.0444                 0.0003                 0.0008
 Gamma2 Fr= 1--     -0.3727                 0.2442                 1.6014
 Delta2 Fr= 1--     -0.3398                -0.0769                 0.8714
 Raman1 Fr= 1--       3.828                  0.832                 10.048
 ROA1   Fr= 1--     -46.658                 20.986                181.614
 CID1   Fr= 1--     -12.189                 25.212                 18.075
 Raman2 Fr= 1--       0.951                  0.357                  4.299
 ROA2   Fr= 1--      -6.227                  6.477                 31.461
 CID2   Fr= 1--      -6.548                 18.158                  7.319
 Raman3 Fr= 1--       1.902                  0.713                  8.597
 ROA3   Fr= 1--     -46.658                 20.986                181.614
 CID3   Fr= 1--     -24.532                 29.415                 21.125
 RC180  Fr= 1--      -0.006                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.00   0.01   0.10     0.05   0.02   0.02
     2   6    -0.01  -0.01   0.03     0.01  -0.01  -0.07    -0.05  -0.03  -0.01
     3   6     0.03   0.01  -0.02    -0.02   0.00   0.03     0.11   0.02   0.00
     4   6     0.02   0.01   0.08    -0.01   0.00  -0.00     0.04  -0.02  -0.08
     5   6    -0.01  -0.02  -0.09     0.00   0.00  -0.02    -0.00  -0.01   0.04
     6   6    -0.02  -0.04  -0.08     0.01   0.02   0.02    -0.03  -0.04   0.05
     7   6    -0.01   0.01  -0.02    -0.00  -0.03  -0.10    -0.02   0.02  -0.04
     8   1     0.04  -0.01  -0.09    -0.06  -0.07  -0.37     0.18  -0.02  -0.02
     9   1     0.03   0.09   0.50     0.00  -0.00  -0.05    -0.02  -0.05  -0.17
    10   1     0.05   0.08   0.62     0.00   0.02   0.01    -0.01  -0.12  -0.29
    11   6     0.02   0.04   0.02    -0.01  -0.05  -0.01     0.02   0.17   0.01
    12   6     0.00   0.01  -0.00    -0.00  -0.01  -0.01    -0.02   0.05   0.09
    13   6    -0.01  -0.04  -0.01    -0.00   0.05  -0.00     0.02  -0.15   0.02
    14   1     0.05   0.03  -0.05    -0.02  -0.03   0.05     0.05   0.10  -0.21
    15   1     0.03  -0.01  -0.10    -0.02   0.02   0.09     0.05  -0.08  -0.31
    16   1     0.00  -0.04   0.01     0.00   0.05   0.00    -0.03  -0.18   0.04
    17   1    -0.01  -0.05   0.08     0.03   0.05  -0.11    -0.14  -0.21   0.46
    18   8    -0.04  -0.01   0.02     0.03   0.00  -0.01    -0.08   0.00   0.03
    19   8     0.02   0.00  -0.04    -0.02  -0.00   0.03     0.05   0.02  -0.10
    20   1     0.01   0.02   0.04     0.00  -0.05  -0.02     0.01   0.11   0.03
    21   6    -0.01   0.01  -0.02    -0.00  -0.02  -0.10    -0.04   0.02  -0.04
    22   6    -0.00  -0.01  -0.04     0.01   0.02   0.10    -0.00   0.02   0.07
    23   6    -0.02   0.00   0.07     0.02   0.00  -0.01    -0.09  -0.04  -0.04
    24   8     0.01  -0.00   0.01    -0.01   0.00  -0.02     0.03  -0.03  -0.01
    25   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02   0.01  -0.00
    26   1    -0.01   0.04   0.09     0.05   0.09   0.59    -0.05   0.10   0.23
    27   1    -0.01   0.03   0.17     0.06   0.11   0.62    -0.05   0.05   0.22
    28   1    -0.07  -0.08  -0.45     0.03  -0.00  -0.00    -0.14   0.05   0.25
    29   1    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.01   0.00  -0.00
    30   1     0.00   0.01  -0.02    -0.01  -0.01   0.01     0.03   0.06  -0.00
    31   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    866.1396               881.1327               927.3481
 Red. masses --      3.1796                 1.8218                 1.5404
 Frc consts  --      1.4054                 0.8334                 0.7805
 IR Inten    --      5.7850                37.4327                10.5803
 RamAct Fr= 1--     21.8520                 2.3790                 1.2897
  Dep-P Fr= 1--      0.1118                 0.6600                 0.3333
  Dep-U Fr= 1--      0.2010                 0.7952                 0.5000
 Alpha2 Fr= 1--      0.3717                 0.0038                 0.0119
 Beta2  Fr= 1--      0.7322                 0.3153                 0.1075
 AlphaG Fr= 1--      0.1679                 0.0663                 0.0915
 Gamma2 Fr= 1--     -0.3026                -0.6809                 0.3678
 Delta2 Fr= 1--     -0.7809                -0.2895                 0.0939
 Raman1 Fr= 1--      87.408                  9.516                  5.159
 ROA1   Fr= 1--     -54.040                -74.632                 38.311
 CID1   Fr= 1--      -0.618                 -7.843                  7.426
 Raman2 Fr= 1--       8.786                  3.784                  1.290
 ROA2   Fr= 1--      -1.016                -14.025                  8.076
 CID2   Fr= 1--      -0.116                 -3.707                  6.262
 Raman3 Fr= 1--      17.573                  7.567                  2.579
 ROA3   Fr= 1--     -54.040                -74.632                 38.311
 CID3   Fr= 1--      -3.075                 -9.863                 14.853
 RC180  Fr= 1--      -0.598                  0.590                 -0.000
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01   0.02    -0.00  -0.01  -0.04     0.01   0.02   0.08
     2   6     0.09   0.03  -0.01     0.01   0.02   0.14    -0.01  -0.00  -0.03
     3   6    -0.18  -0.04   0.01     0.01   0.00  -0.00    -0.01  -0.02  -0.17
     4   6    -0.01   0.04  -0.01    -0.00   0.00   0.03    -0.00   0.01   0.07
     5   6    -0.06   0.01   0.00    -0.00  -0.01  -0.06     0.01  -0.02  -0.01
     6   6    -0.05  -0.03   0.01     0.00  -0.01  -0.07     0.01   0.01   0.03
     7   6     0.03   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.01  -0.01
     8   1    -0.34   0.05   0.07     0.01   0.01   0.07     0.06   0.17   0.88
     9   1    -0.07   0.01   0.03     0.04   0.08   0.44     0.01  -0.01   0.03
    10   1    -0.17   0.03  -0.03     0.03   0.05   0.25    -0.01  -0.01  -0.12
    11   6     0.17   0.06   0.07    -0.01  -0.01   0.00    -0.01  -0.00   0.02
    12   6     0.08   0.02   0.00    -0.00  -0.00  -0.02     0.01  -0.00  -0.03
    13   6    -0.05  -0.06  -0.02    -0.00   0.01  -0.00    -0.00  -0.00  -0.01
    14   1     0.15   0.08   0.16    -0.01  -0.01   0.00    -0.00   0.01   0.05
    15   1    -0.18  -0.06   0.03     0.02   0.01   0.00     0.01   0.01   0.00
    16   1     0.05   0.04  -0.49     0.00   0.01   0.03     0.01   0.01   0.01
    17   1    -0.23  -0.04   0.27     0.03   0.02  -0.06     0.04   0.02  -0.08
    18   8    -0.08  -0.04   0.03     0.01   0.00  -0.00    -0.00  -0.00   0.00
    19   8     0.05  -0.00  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.00
    20   1     0.02   0.08   0.09     0.00  -0.01  -0.00    -0.01   0.03  -0.00
    21   6     0.05  -0.05  -0.00    -0.00  -0.00  -0.02    -0.00  -0.01  -0.04
    22   6     0.03  -0.03   0.02     0.01   0.02   0.09    -0.00   0.01   0.01
    23   6     0.18   0.04  -0.04    -0.02  -0.03  -0.18    -0.01   0.00   0.01
    24   8    -0.06   0.06  -0.01     0.00  -0.01  -0.02     0.00  -0.01  -0.00
    25   6    -0.04  -0.03   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1     0.11  -0.02   0.04     0.00   0.01   0.05    -0.01  -0.02  -0.07
    27   1     0.05  -0.05   0.06     0.00   0.01   0.01     0.04   0.06   0.33
    28   1     0.35  -0.01   0.09     0.04   0.14   0.79    -0.02   0.01   0.01
    29   1     0.04  -0.00  -0.01    -0.00  -0.01  -0.00    -0.00   0.00   0.00
    30   1    -0.08  -0.15   0.04     0.01   0.01   0.03     0.01   0.01  -0.00
    31   1     0.04   0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --    947.9456               961.4682               969.3010
 Red. masses --      3.5160                 1.3108                 1.3281
 Frc consts  --      1.8615                 0.7139                 0.7352
 IR Inten    --     24.0741                 0.5705                 0.6349
 RamAct Fr= 1--      0.6328                 2.1205                 0.7724
  Dep-P Fr= 1--      0.7372                 0.7444                 0.6905
  Dep-U Fr= 1--      0.8488                 0.8535                 0.8170
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0008
 Beta2  Fr= 1--      0.0895                 0.3016                 0.1052
 AlphaG Fr= 1--     -0.0057                 0.0146                -0.0355
 Gamma2 Fr= 1--      0.9827                 0.2442                -0.6370
 Delta2 Fr= 1--     -1.6039                -0.0857                 0.2385
 Raman1 Fr= 1--       2.531                  8.482                  3.090
 ROA1   Fr= 1--      43.015                 20.699                -53.523
 CID1   Fr= 1--      16.994                  2.440                -17.323
 Raman2 Fr= 1--       1.074                  3.620                  1.262
 ROA2   Fr= 1--      36.417                  6.546                -17.197
 CID2   Fr= 1--      33.903                  1.808                -13.626
 Raman3 Fr= 1--       2.148                  7.239                  2.524
 ROA3   Fr= 1--      43.015                 20.699                -53.523
 CID3   Fr= 1--      20.023                  2.859                -21.205
 RC180  Fr= 1--       0.698                  0.707                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06   0.02    -0.00  -0.00  -0.01     0.00   0.00   0.03
     2   6     0.06  -0.06   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
     3   6     0.03  -0.17   0.00     0.00   0.00   0.01    -0.00  -0.01  -0.05
     4   6     0.11  -0.03   0.00    -0.00   0.00   0.01     0.00   0.00   0.01
     5   6    -0.11   0.23  -0.04    -0.01  -0.02  -0.11     0.00   0.01   0.03
     6   6    -0.04  -0.00   0.01     0.01   0.02   0.11    -0.00  -0.00  -0.03
     7   6    -0.02   0.06  -0.00    -0.00  -0.01  -0.02    -0.01  -0.02  -0.12
     8   1     0.03  -0.14   0.17    -0.00  -0.01  -0.05     0.02   0.04   0.21
     9   1    -0.19   0.19  -0.00     0.04   0.12   0.68    -0.02  -0.03  -0.15
    10   1     0.16  -0.10  -0.02    -0.04  -0.12  -0.64     0.01   0.03   0.16
    11   6    -0.03  -0.02  -0.07    -0.00  -0.00   0.01    -0.00   0.00   0.00
    12   6    -0.08   0.01   0.05     0.00  -0.00  -0.01     0.00   0.00  -0.00
    13   6     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.08  -0.03  -0.27    -0.00  -0.00  -0.00     0.00   0.00   0.01
    15   1     0.18   0.02  -0.16     0.01   0.00  -0.00     0.00   0.00  -0.00
    16   1    -0.06  -0.14   0.44     0.00   0.00   0.01     0.00  -0.00   0.01
    17   1     0.12  -0.08   0.02     0.01   0.00  -0.02     0.01   0.00  -0.01
    18   8     0.02   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   8    -0.01   0.00   0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    21   6    -0.07   0.15  -0.03     0.00   0.01   0.03     0.00   0.02   0.10
    22   6     0.07  -0.05   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.01
    23   6     0.13  -0.11   0.01     0.00   0.00   0.02     0.00  -0.01  -0.01
    24   8    -0.06   0.08  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.06  -0.04   0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.14  -0.03  -0.05     0.01   0.03   0.16     0.06   0.12   0.70
    27   1    -0.20   0.08   0.07    -0.01  -0.03  -0.19    -0.04  -0.10  -0.59
    28   1     0.27  -0.18   0.02    -0.01  -0.02  -0.07     0.01  -0.01   0.02
    29   1     0.06  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    30   1    -0.11  -0.21   0.05    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
    31   1     0.06  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    982.2348              1029.0133              1061.6700
 Red. masses --      3.5082                 2.1282                 4.7249
 Frc consts  --      1.9942                 1.3277                 3.1378
 IR Inten    --      0.9567                 3.4775                54.5933
 RamAct Fr= 1--     15.7519                 4.3512                 2.4574
  Dep-P Fr= 1--      0.1223                 0.4001                 0.4645
  Dep-U Fr= 1--      0.2179                 0.5715                 0.6343
 Alpha2 Fr= 1--      0.2610                 0.0322                 0.0142
 Beta2  Fr= 1--      0.5721                 0.4145                 0.2598
 AlphaG Fr= 1--     -0.1314                 0.1033                 0.0063
 Gamma2 Fr= 1--     -0.1565                -0.5447                 0.4447
 Delta2 Fr= 1--      0.3470                -1.1872                -0.0252
 Raman1 Fr= 1--      63.008                 17.405                  9.830
 ROA1   Fr= 1--      -3.917                -90.285                 41.881
 CID1   Fr= 1--      -0.062                 -5.187                  4.261
 Raman2 Fr= 1--       6.866                  4.974                  3.118
 ROA2   Fr= 1--      -6.531                 -3.575                 10.874
 CID2   Fr= 1--      -0.951                 -0.719                  3.488
 Raman3 Fr= 1--      13.732                  9.947                  6.235
 ROA3   Fr= 1--      -3.917                -90.285                 41.881
 CID3   Fr= 1--      -0.285                 -9.076                  6.717
 RC180  Fr= 1--      -0.564                  0.143                  0.269
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04   0.00     0.05  -0.00  -0.00    -0.01   0.01  -0.00
     2   6     0.03   0.02  -0.01     0.00  -0.02   0.00    -0.05  -0.03   0.01
     3   6     0.05   0.14  -0.02     0.04  -0.11   0.03     0.03   0.02  -0.00
     4   6    -0.07  -0.00  -0.00    -0.02  -0.02  -0.02     0.00  -0.01  -0.00
     5   6     0.00  -0.14   0.03    -0.03   0.09  -0.01     0.01  -0.02   0.00
     6   6     0.02   0.13  -0.02     0.02  -0.01   0.00     0.01   0.03  -0.01
     7   6    -0.02  -0.12   0.03     0.00   0.02  -0.00    -0.08  -0.04   0.01
     8   1     0.06   0.12  -0.09     0.23  -0.23  -0.04     0.10  -0.01  -0.02
     9   1    -0.11  -0.21   0.03     0.00   0.11  -0.05    -0.07  -0.06   0.01
    10   1    -0.23   0.26  -0.03     0.19  -0.10   0.00     0.06   0.01  -0.01
    11   6    -0.01   0.02   0.05    -0.11   0.09   0.13    -0.02   0.01   0.02
    12   6     0.05   0.00  -0.04     0.06  -0.04  -0.12    -0.00  -0.00  -0.02
    13   6     0.00  -0.01   0.01     0.03  -0.06   0.06     0.00  -0.01   0.01
    14   1    -0.05   0.03   0.15    -0.34   0.13   0.53    -0.01   0.03   0.06
    15   1    -0.08  -0.01   0.04    -0.10   0.04   0.22     0.01   0.01   0.01
    16   1     0.03   0.06  -0.23     0.06   0.21  -0.27     0.00   0.02   0.01
    17   1    -0.06   0.03  -0.00    -0.00   0.17  -0.33     0.02   0.02  -0.06
    18   8    -0.01  -0.00   0.00    -0.02   0.01   0.00    -0.00  -0.00   0.00
    19   8     0.01  -0.00  -0.02     0.01  -0.00  -0.05     0.00   0.00  -0.01
    20   1     0.01  -0.01  -0.02     0.02  -0.00  -0.06     0.01  -0.01  -0.02
    21   6    -0.05   0.25  -0.05    -0.03   0.01  -0.00     0.01  -0.11   0.02
    22   6     0.07  -0.03   0.00    -0.01  -0.00   0.00     0.19   0.07  -0.03
    23   6    -0.01  -0.24   0.04     0.00  -0.00   0.00    -0.02   0.05  -0.01
    24   8    -0.02   0.06  -0.01    -0.01  -0.01   0.00     0.15   0.27  -0.06
    25   6    -0.05  -0.04   0.01     0.01   0.01  -0.00    -0.17  -0.30   0.07
    26   1     0.33  -0.31  -0.00    -0.04   0.04  -0.01    -0.32   0.08   0.01
    27   1     0.08   0.34  -0.04    -0.06  -0.00   0.01    -0.26  -0.30   0.07
    28   1     0.12  -0.31   0.05     0.00  -0.00  -0.00    -0.39   0.25  -0.02
    29   1     0.04  -0.01  -0.00     0.01   0.01  -0.00    -0.15  -0.21   0.08
    30   1    -0.08  -0.15   0.03     0.01   0.01  -0.00    -0.12  -0.14   0.03
    31   1     0.04  -0.01   0.00     0.01   0.01  -0.00    -0.16  -0.22   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1091.5827              1098.9056              1151.7242
 Red. masses --      2.1733                 1.9279                 1.4455
 Frc consts  --      1.5258                 1.3717                 1.1297
 IR Inten    --      3.2902                19.0391                14.8392
 RamAct Fr= 1--      1.9558                 9.7630                 1.3157
  Dep-P Fr= 1--      0.6770                 0.1775                 0.7478
  Dep-U Fr= 1--      0.8074                 0.3015                 0.8557
 Alpha2 Fr= 1--      0.0025                 0.1406                 0.0000
 Beta2  Fr= 1--      0.2632                 0.4906                 0.1877
 AlphaG Fr= 1--      0.0000                -0.1982                 0.0002
 Gamma2 Fr= 1--      0.2689                -1.6628                 0.1459
 Delta2 Fr= 1--      0.3308                 1.7382                -0.1169
 Raman1 Fr= 1--       7.823                 39.052                  5.263
 ROA1   Fr= 1--      36.397               -104.004                 10.267
 CID1   Fr= 1--       4.652                 -2.663                  1.951
 Raman2 Fr= 1--       3.158                  5.887                  2.252
 ROA2   Fr= 1--       3.807                -53.812                  4.437
 CID2   Fr= 1--       1.206                 -9.140                  1.971
 Raman3 Fr= 1--       6.316                 11.774                  4.504
 ROA3   Fr= 1--      36.397               -104.004                 10.267
 CID3   Fr= 1--       5.762                 -8.833                  2.280
 RC180  Fr= 1--       0.615                 -0.397                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.08  -0.01
     2   6    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.02   0.04  -0.01
     3   6     0.01   0.00  -0.00    -0.02   0.06   0.00    -0.05  -0.04   0.01
     4   6     0.10   0.05  -0.00     0.05  -0.01  -0.06    -0.03  -0.02   0.00
     5   6     0.01  -0.06   0.01     0.01  -0.03   0.02     0.01   0.04  -0.01
     6   6    -0.05  -0.03   0.01    -0.01  -0.00   0.00    -0.02  -0.05   0.01
     7   6     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.06  -0.05   0.01
     8   1    -0.16   0.10  -0.00    -0.21   0.15  -0.07     0.06  -0.10   0.01
     9   1    -0.05  -0.10   0.04    -0.03  -0.06  -0.03     0.26   0.19  -0.05
    10   1    -0.22   0.06   0.00    -0.10   0.04  -0.01    -0.06  -0.03   0.01
    11   6     0.05   0.15  -0.14     0.05  -0.01   0.16     0.04   0.01  -0.01
    12   6    -0.06  -0.14   0.06    -0.11   0.01  -0.12    -0.02  -0.01   0.00
    13   6     0.04  -0.09  -0.02    -0.01   0.01   0.09     0.00  -0.01   0.00
    14   1    -0.02   0.22   0.18     0.32   0.07   0.13     0.16   0.06   0.01
    15   1    -0.05   0.06   0.57     0.33   0.12  -0.23     0.04   0.02   0.03
    16   1    -0.04   0.23   0.25    -0.07  -0.06   0.52    -0.01   0.01   0.08
    17   1     0.09   0.20  -0.41     0.32  -0.01  -0.36     0.04   0.01  -0.06
    18   8    -0.02   0.00  -0.00    -0.04  -0.02   0.00    -0.01  -0.00  -0.00
    19   8    -0.02   0.02   0.03     0.04  -0.01  -0.06    -0.00   0.00   0.00
    20   1    -0.04   0.04   0.16     0.05  -0.04  -0.13    -0.00   0.01   0.02
    21   6    -0.01   0.00  -0.00     0.01  -0.01   0.00     0.05   0.02  -0.01
    22   6     0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.04   0.00   0.00
    23   6     0.01   0.00  -0.00     0.01   0.01  -0.00    -0.03  -0.06   0.01
    24   8     0.00   0.00  -0.00    -0.01  -0.01   0.00     0.04   0.03  -0.01
    25   6    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.01  -0.04   0.01
    26   1     0.04  -0.01  -0.00     0.04  -0.00  -0.00    -0.39   0.12   0.01
    27   1    -0.07  -0.04   0.01    -0.02  -0.02   0.01     0.64   0.40  -0.12
    28   1     0.05  -0.02   0.00     0.02   0.01  -0.00     0.09  -0.12   0.02
    29   1     0.00  -0.00  -0.00     0.01   0.01  -0.00    -0.04  -0.02   0.02
    30   1    -0.01  -0.01   0.00    -0.00  -0.01   0.00     0.03   0.08  -0.02
    31   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.04  -0.03  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1173.9724              1175.6043              1179.5644
 Red. masses --      1.2770                 1.8628                 1.6646
 Frc consts  --      1.0370                 1.5168                 1.3646
 IR Inten    --      0.8225                42.2800                10.3728
 RamAct Fr= 1--      0.8575                21.8384                13.9783
  Dep-P Fr= 1--      0.7499                 0.4454                 0.5996
  Dep-U Fr= 1--      0.8571                 0.6163                 0.7497
 Alpha2 Fr= 1--      0.0000                 0.1364                 0.0390
 Beta2  Fr= 1--      0.1225                 2.2430                 1.7465
 AlphaG Fr= 1--     -0.0014                -0.0026                -0.0339
 Gamma2 Fr= 1--      0.0487                 2.9122                -1.3405
 Delta2 Fr= 1--     -0.0106                 4.6086                -2.1588
 Raman1 Fr= 1--       3.430                 87.353                 55.913
 ROA1   Fr= 1--       4.339                427.043               -197.767
 CID1   Fr= 1--       1.265                  4.889                 -3.537
 Raman2 Fr= 1--       1.470                 26.916                 20.958
 ROA2   Fr= 1--       1.254                 33.023                -14.901
 CID2   Fr= 1--       0.853                  1.227                 -0.711
 Raman3 Fr= 1--       2.940                 53.832                 41.916
 ROA3   Fr= 1--       4.339                427.043               -197.767
 CID3   Fr= 1--       1.476                  7.933                 -4.718
 RC180  Fr= 1--       0.714                  0.233                  0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03  -0.03   0.00     0.03  -0.03   0.00
     2   6     0.00   0.00   0.00    -0.00   0.06  -0.01     0.01   0.04  -0.01
     3   6     0.00  -0.00   0.00     0.01  -0.05   0.00     0.00  -0.04   0.01
     4   6     0.00   0.00   0.00     0.09   0.05   0.01    -0.01   0.01  -0.02
     5   6     0.00  -0.00  -0.00     0.06  -0.01  -0.01     0.06   0.01  -0.00
     6   6    -0.00  -0.00  -0.00    -0.07  -0.05   0.01    -0.06  -0.02   0.01
     7   6    -0.00  -0.00  -0.00     0.01   0.01  -0.00     0.01   0.00  -0.00
     8   1    -0.00   0.00   0.00    -0.17   0.04   0.03    -0.02  -0.04  -0.02
     9   1     0.00   0.00   0.00     0.40   0.19  -0.05     0.49   0.27  -0.10
    10   1    -0.00   0.00   0.00    -0.47   0.16   0.00    -0.43   0.17  -0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.02  -0.04    -0.00  -0.02   0.08
    12   6     0.00  -0.00   0.00     0.02  -0.01   0.01    -0.01   0.04  -0.03
    13   6    -0.00   0.00   0.00    -0.04   0.09   0.14     0.03  -0.06  -0.14
    14   1    -0.00  -0.00  -0.00    -0.34  -0.17  -0.18     0.02   0.02   0.17
    15   1    -0.00  -0.00   0.00    -0.08  -0.03   0.04     0.07   0.02  -0.17
    16   1     0.00   0.00  -0.00     0.01   0.01  -0.11    -0.00  -0.06   0.05
    17   1    -0.00   0.00   0.00    -0.07   0.01   0.04     0.04  -0.05   0.05
    18   8    -0.00  -0.00  -0.00    -0.03  -0.03   0.00     0.04   0.03   0.00
    19   8     0.00   0.00  -0.00     0.05   0.00  -0.05    -0.05  -0.01   0.04
    20   1     0.00  -0.00  -0.00     0.10  -0.12  -0.43    -0.11   0.12   0.43
    21   6    -0.00  -0.00  -0.00    -0.02   0.02  -0.00    -0.02   0.02  -0.00
    22   6    -0.00  -0.00  -0.00    -0.02  -0.02   0.00    -0.00  -0.02   0.00
    23   6    -0.00  -0.00  -0.00    -0.03  -0.00   0.00    -0.03   0.01   0.00
    24   8     0.00   0.01   0.06     0.03   0.02  -0.01     0.01   0.01  -0.00
    25   6    -0.01  -0.02  -0.14    -0.00  -0.03   0.01    -0.00  -0.01   0.00
    26   1     0.00   0.00   0.00     0.06  -0.02   0.00     0.18  -0.08   0.00
    27   1    -0.00   0.00   0.01    -0.13  -0.05   0.02    -0.24  -0.12   0.04
    28   1     0.00   0.00   0.02     0.10  -0.07   0.01    -0.00  -0.00   0.00
    29   1     0.30   0.59   0.05    -0.02  -0.02   0.01    -0.01  -0.01   0.00
    30   1     0.02   0.05   0.28     0.02   0.05  -0.01     0.00   0.01  -0.00
    31   1    -0.28  -0.53   0.30    -0.02  -0.01  -0.01    -0.01  -0.01  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1194.6436              1199.0277              1222.1315
 Red. masses --      1.4623                 1.5793                 1.7380
 Frc consts  --      1.2296                 1.3378                 1.5294
 IR Inten    --     14.7381                26.0099                17.4943
 RamAct Fr= 1--      1.5385                40.8278                 6.3162
  Dep-P Fr= 1--      0.7268                 0.1155                 0.2945
  Dep-U Fr= 1--      0.8418                 0.2070                 0.4550
 Alpha2 Fr= 1--      0.0006                 0.6882                 0.0658
 Beta2  Fr= 1--      0.2158                 1.4087                 0.4790
 AlphaG Fr= 1--      0.0015                -0.0266                -0.0165
 Gamma2 Fr= 1--     -1.9327                -1.7907                 0.7845
 Delta2 Fr= 1--     -0.8946                 0.3023                -0.4119
 Raman1 Fr= 1--       6.154                163.311                 25.265
 ROA1   Fr= 1--    -214.167               -162.230                 62.126
 CID1   Fr= 1--     -34.801                 -0.993                  2.459
 Raman2 Fr= 1--       2.590                 16.904                  5.748
 ROA2   Fr= 1--     -39.228                -45.394                 22.123
 CID2   Fr= 1--     -15.145                 -2.685                  3.849
 Raman3 Fr= 1--       5.180                 33.808                 11.496
 ROA3   Fr= 1--    -214.167               -162.230                 62.126
 CID3   Fr= 1--     -41.342                 -4.799                  5.404
 RC180  Fr= 1--       0.684                 -0.586                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.05  -0.00    -0.01  -0.02   0.00     0.06  -0.05   0.00
     2   6    -0.06   0.07  -0.01    -0.04   0.03  -0.00     0.11  -0.08   0.01
     3   6     0.02  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.01  -0.00
     4   6    -0.06   0.01   0.00     0.12   0.05  -0.02    -0.04  -0.05   0.01
     5   6    -0.01   0.00   0.00    -0.01  -0.05   0.01    -0.01   0.04  -0.01
     6   6     0.03  -0.04   0.00     0.00  -0.04   0.01     0.00   0.05  -0.01
     7   6     0.04  -0.04   0.00     0.00   0.03  -0.00    -0.00   0.03  -0.01
     8   1     0.32  -0.16   0.02    -0.29   0.15  -0.02    -0.14   0.07  -0.00
     9   1     0.14   0.10  -0.03    -0.32  -0.25   0.06    -0.05   0.02   0.00
    10   1     0.26  -0.16   0.01     0.14  -0.12   0.01    -0.18   0.16  -0.02
    11   6     0.05   0.00  -0.02    -0.05  -0.02   0.05    -0.00   0.01  -0.02
    12   6    -0.02  -0.02   0.01     0.01   0.04  -0.02     0.01  -0.01   0.01
    13   6    -0.00   0.00   0.02     0.00  -0.00  -0.06     0.01  -0.01   0.01
    14   1     0.19   0.04  -0.05    -0.39  -0.13   0.09     0.17   0.07  -0.01
    15   1     0.03   0.01   0.04     0.00  -0.00  -0.13    -0.02  -0.01   0.05
    16   1    -0.01   0.01   0.05     0.00  -0.05  -0.01     0.01   0.02  -0.03
    17   1     0.04   0.01  -0.05    -0.01  -0.04   0.08    -0.02   0.02  -0.01
    18   8    -0.01  -0.01  -0.00     0.02   0.01   0.00    -0.00   0.00  -0.00
    19   8     0.01   0.00  -0.01    -0.02  -0.01   0.02     0.00   0.00  -0.00
    20   1     0.02  -0.02  -0.06    -0.04   0.04   0.16     0.00  -0.00  -0.04
    21   6    -0.03  -0.01   0.00    -0.00   0.01  -0.00    -0.00   0.01  -0.00
    22   6    -0.05   0.02  -0.00    -0.07   0.01   0.00    -0.01  -0.01   0.00
    23   6     0.01  -0.00  -0.00     0.02  -0.01   0.00    -0.01  -0.02   0.00
    24   8     0.01   0.04  -0.01     0.02   0.04  -0.01    -0.08   0.04  -0.00
    25   6     0.04  -0.05   0.01     0.03  -0.05   0.01     0.13  -0.05   0.00
    26   1     0.45  -0.26   0.01    -0.13   0.10  -0.01    -0.06   0.07  -0.01
    27   1    -0.18  -0.10   0.03     0.15   0.10  -0.03    -0.09  -0.04   0.01
    28   1     0.36  -0.18   0.01     0.38  -0.20   0.01    -0.24   0.09   0.00
    29   1    -0.16  -0.05   0.06    -0.15  -0.04   0.06    -0.37  -0.09   0.13
    30   1     0.14   0.30  -0.06     0.13   0.29  -0.06     0.30   0.55  -0.12
    31   1    -0.17  -0.07  -0.02    -0.15  -0.06  -0.02    -0.38  -0.12  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1246.8011              1294.8685              1298.1125
 Red. masses --      2.0031                 2.0937                 1.4499
 Frc consts  --      1.8346                 2.0683                 1.4395
 IR Inten    --    139.8618               121.8660               137.6017
 RamAct Fr= 1--      6.4867                13.1248                14.6077
  Dep-P Fr= 1--      0.2973                 0.3001                 0.7172
  Dep-U Fr= 1--      0.4583                 0.4616                 0.8353
 Alpha2 Fr= 1--      0.0671                 0.1346                 0.0083
 Beta2  Fr= 1--      0.4955                 1.0098                 2.0336
 AlphaG Fr= 1--      0.0266                 0.0250                -0.0187
 Gamma2 Fr= 1--      0.9513                 7.0329                -5.2512
 Delta2 Fr= 1--      1.2029                -0.8288                -2.6677
 Raman1 Fr= 1--      25.947                 52.499                 58.431
 ROA1   Fr= 1--     129.817                648.637               -589.479
 CID1   Fr= 1--       5.003                 12.355                -10.089
 Raman2 Fr= 1--       5.946                 12.117                 24.404
 ROA2   Fr= 1--      13.207                175.420               -104.687
 CID2   Fr= 1--       2.221                 14.477                 -4.290
 Raman3 Fr= 1--      11.892                 24.234                 48.807
 ROA3   Fr= 1--     129.817                648.637               -589.479
 CID3   Fr= 1--      10.917                 26.765                -12.078
 RC180  Fr= 1--      -0.083                 -0.077                  0.671
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.10   0.01     0.05   0.04  -0.01     0.02  -0.03   0.01
     2   6    -0.01  -0.00   0.00     0.15   0.01  -0.01    -0.05   0.00   0.00
     3   6    -0.02   0.04  -0.01    -0.06  -0.01   0.01     0.01   0.00  -0.00
     4   6    -0.07  -0.09   0.02    -0.01  -0.00  -0.00    -0.04  -0.01   0.00
     5   6     0.01   0.01  -0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
     6   6    -0.00   0.03  -0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
     7   6     0.01   0.06  -0.01    -0.01   0.02  -0.00     0.01  -0.01   0.00
     8   1    -0.43   0.25  -0.02     0.00  -0.04   0.01    -0.05   0.04   0.00
     9   1     0.10   0.07  -0.02    -0.30  -0.15   0.04     0.13   0.06  -0.03
    10   1     0.28  -0.12   0.00     0.04  -0.04   0.00     0.07  -0.02   0.00
    11   6    -0.05   0.00  -0.02     0.06   0.03   0.03     0.01   0.03   0.05
    12   6     0.03  -0.01   0.01    -0.01  -0.03  -0.01     0.01  -0.05  -0.00
    13   6     0.02  -0.03   0.00    -0.02   0.04   0.03    -0.02   0.05   0.07
    14   1     0.45   0.20   0.02    -0.27  -0.19  -0.28     0.02  -0.15  -0.56
    15   1    -0.06  -0.02   0.06     0.04   0.02   0.06    -0.02  -0.01   0.14
    16   1     0.02   0.02  -0.08    -0.01   0.06   0.03     0.02   0.11  -0.05
    17   1    -0.05   0.03   0.01     0.03   0.01  -0.08    -0.01   0.06  -0.12
    18   8    -0.01   0.01   0.00     0.02   0.00  -0.01     0.04   0.01  -0.02
    19   8     0.00   0.01   0.01    -0.01  -0.02  -0.04    -0.01  -0.04  -0.07
    20   1     0.02  -0.03  -0.13    -0.07   0.11   0.34    -0.12   0.19   0.59
    21   6    -0.01   0.04  -0.01    -0.02   0.01   0.00     0.01   0.01  -0.00
    22   6    -0.11  -0.04   0.02    -0.14  -0.09   0.03     0.05   0.03  -0.01
    23   6    -0.05   0.06  -0.01    -0.08   0.02   0.00     0.02  -0.01  -0.00
    24   8     0.10   0.02  -0.01     0.10   0.03  -0.01    -0.03  -0.01   0.00
    25   6    -0.05  -0.03   0.01    -0.04  -0.04   0.01     0.01   0.01  -0.00
    26   1    -0.07   0.11  -0.02     0.46  -0.23   0.01    -0.25   0.13  -0.00
    27   1    -0.16  -0.05   0.02     0.07   0.07  -0.02    -0.10  -0.06   0.02
    28   1     0.39  -0.17   0.00    -0.34   0.15  -0.00     0.18  -0.09   0.00
    29   1     0.14   0.03  -0.03     0.10   0.03  -0.01    -0.03  -0.02   0.00
    30   1    -0.05  -0.05   0.01    -0.01   0.01  -0.00     0.00  -0.00   0.00
    31   1     0.14   0.04  -0.00     0.10   0.03  -0.02    -0.03  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1302.9977              1323.5338              1335.9201
 Red. masses --      1.9947                 2.1191                 1.7739
 Frc consts  --      1.9953                 2.1872                 1.8653
 IR Inten    --     37.1455                18.8266               142.0692
 RamAct Fr= 1--      0.7170                23.7522                 5.2083
  Dep-P Fr= 1--      0.3302                 0.1863                 0.5713
  Dep-U Fr= 1--      0.4964                 0.3141                 0.7271
 Alpha2 Fr= 1--      0.0067                 0.3344                 0.0176
 Beta2  Fr= 1--      0.0593                 1.2436                 0.6312
 AlphaG Fr= 1--      0.0073                 0.2157                -0.0976
 Gamma2 Fr= 1--     -0.9067                -0.5339                 3.0188
 Delta2 Fr= 1--      0.0301                 0.3130                 2.2238
 Raman1 Fr= 1--       2.868                 95.009                 20.833
 ROA1   Fr= 1--     -86.079                -41.241                360.966
 CID1   Fr= 1--     -30.013                 -0.434                 17.326
 Raman2 Fr= 1--       0.712                 14.923                  7.574
 ROA2   Fr= 1--     -22.001                -15.318                 54.660
 CID2   Fr= 1--     -30.905                 -1.026                  7.217
 Raman3 Fr= 1--       1.424                 29.846                 15.148
 ROA3   Fr= 1--     -86.079                -41.241                360.966
 CID3   Fr= 1--     -60.458                 -1.382                 23.829
 RC180  Fr= 1--      -0.007                 -0.372                  0.454
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.11   0.03     0.11  -0.06   0.00     0.01  -0.00  -0.00
     2   6    -0.02  -0.16   0.03     0.01   0.01  -0.00    -0.00  -0.00   0.00
     3   6     0.04   0.05  -0.01    -0.04  -0.03   0.01    -0.01   0.01  -0.00
     4   6    -0.02   0.02  -0.00    -0.14   0.04   0.00    -0.01  -0.01   0.02
     5   6     0.03   0.01  -0.01    -0.01  -0.02   0.01     0.00  -0.00  -0.00
     6   6     0.00   0.06  -0.01     0.02   0.02  -0.01     0.00   0.01  -0.00
     7   6    -0.01   0.09  -0.02     0.03  -0.01   0.00     0.00  -0.00   0.00
     8   1     0.61  -0.24   0.01     0.07  -0.10   0.02    -0.01   0.01   0.02
     9   1    -0.09  -0.05   0.02    -0.00  -0.01   0.00     0.02   0.01   0.02
    10   1    -0.43   0.29  -0.02     0.12  -0.03  -0.00     0.04  -0.02   0.00
    11   6     0.02   0.00  -0.00     0.20   0.03  -0.01     0.02  -0.07  -0.15
    12   6    -0.01  -0.00   0.00    -0.06   0.01   0.00    -0.03   0.06   0.03
    13   6    -0.00   0.01   0.01    -0.02   0.01  -0.05     0.00   0.03   0.16
    14   1    -0.05  -0.03  -0.02    -0.59  -0.22   0.12    -0.08   0.16   0.72
    15   1     0.02   0.00  -0.01     0.19   0.07  -0.07     0.02  -0.01  -0.20
    16   1    -0.01   0.02   0.00    -0.05  -0.00   0.12    -0.03  -0.16  -0.01
    17   1     0.01   0.01  -0.02     0.15  -0.08  -0.02     0.06  -0.06   0.11
    18   8     0.00  -0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.03
    19   8    -0.00  -0.00  -0.00     0.01   0.01   0.03    -0.01  -0.03  -0.08
    20   1    -0.01   0.01   0.04     0.05  -0.07  -0.22    -0.09   0.15   0.51
    21   6     0.02  -0.02   0.00     0.00   0.04  -0.01     0.00   0.00  -0.00
    22   6    -0.10  -0.03   0.01     0.01   0.03  -0.01     0.00   0.00  -0.00
    23   6     0.04   0.06  -0.01    -0.04  -0.01   0.00    -0.01   0.00  -0.00
    24   8     0.05   0.01  -0.01    -0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02  -0.02   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.07   0.13  -0.02    -0.36   0.20  -0.01    -0.02   0.01   0.00
    27   1     0.17   0.08  -0.03    -0.29  -0.14   0.05    -0.03  -0.01   0.01
    28   1     0.32  -0.09  -0.01     0.15  -0.11   0.01     0.04  -0.02   0.00
    29   1     0.07   0.03  -0.01     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    30   1     0.01   0.07  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   1     0.07   0.03  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1385.9836              1400.3482              1415.3191
 Red. masses --      1.8695                 5.0267                 1.2170
 Frc consts  --      2.1159                 5.8077                 1.4363
 IR Inten    --      7.4996                 0.5549                10.8150
 RamAct Fr= 1--      1.4622               455.1985                 1.4047
  Dep-P Fr= 1--      0.1384                 0.2146                 0.1584
  Dep-U Fr= 1--      0.2432                 0.3534                 0.2734
 Alpha2 Fr= 1--      0.0233                 5.9452                 0.0213
 Beta2  Fr= 1--      0.0593                26.8090                 0.0640
 AlphaG Fr= 1--     -0.0128                -0.3307                -0.0165
 Gamma2 Fr= 1--      0.0131                -0.7484                -0.2547
 Delta2 Fr= 1--     -0.3316                 2.1431                 0.0088
 Raman1 Fr= 1--       5.849               1820.794                  5.619
 ROA1   Fr= 1--      -9.355                 -3.270                -24.172
 CID1   Fr= 1--      -1.599                 -0.002                 -4.302
 Raman2 Fr= 1--       0.711                321.709                  0.768
 ROA2   Fr= 1--       2.967                -35.107                 -6.185
 CID2   Fr= 1--       4.172                 -0.109                 -8.052
 Raman3 Fr= 1--       1.422                643.417                  1.536
 ROA3   Fr= 1--      -9.355                 -3.270                -24.172
 CID3   Fr= 1--      -6.577                 -0.005                -15.735
 RC180  Fr= 1--      -0.514                 -0.293                 -0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.05  -0.01     0.14   0.25  -0.06    -0.01  -0.01   0.00
     2   6     0.08   0.01  -0.01    -0.09  -0.22   0.05     0.01   0.00  -0.00
     3   6    -0.06  -0.04   0.01    -0.19   0.11  -0.01     0.01   0.00   0.00
     4   6     0.01   0.09  -0.02     0.09  -0.20   0.03    -0.01   0.00   0.00
     5   6     0.00   0.04  -0.01     0.22   0.09  -0.03    -0.02  -0.01   0.00
     6   6     0.07  -0.07   0.01    -0.20   0.05   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.07   0.01    -0.01  -0.09   0.02     0.00   0.00  -0.00
     8   1     0.13  -0.15   0.02     0.10  -0.03  -0.00     0.02  -0.01  -0.01
     9   1    -0.42  -0.21   0.07    -0.15  -0.16   0.04     0.03   0.03  -0.01
    10   1    -0.36   0.15  -0.00    -0.02  -0.06   0.01     0.01   0.00  -0.00
    11   6    -0.06  -0.03   0.01     0.00   0.02   0.00     0.01  -0.00  -0.01
    12   6     0.02  -0.00   0.00     0.01  -0.00  -0.02     0.04   0.02  -0.13
    13   6     0.01  -0.01   0.01    -0.00   0.00  -0.01    -0.01   0.00   0.01
    14   1     0.40   0.12  -0.04    -0.34  -0.10   0.03    -0.02  -0.00   0.04
    15   1    -0.06  -0.03   0.01    -0.01   0.02   0.06    -0.23   0.12   0.45
    16   1     0.01  -0.02  -0.02     0.01   0.04   0.10     0.07  -0.05   0.59
    17   1    -0.04   0.02  -0.00    -0.07  -0.03   0.07    -0.33  -0.24   0.43
    18   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8    -0.00  -0.00  -0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
    20   1    -0.01   0.01   0.02    -0.00   0.00  -0.02    -0.00   0.01   0.02
    21   6     0.02   0.01  -0.00     0.01  -0.01   0.00     0.00   0.00  -0.00
    22   6    -0.03   0.13  -0.02     0.04   0.07  -0.01    -0.00   0.00   0.00
    23   6    -0.09  -0.05   0.02     0.02   0.03  -0.01    -0.00  -0.00   0.00
    24   8     0.02  -0.03   0.00    -0.02  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.02   0.00   0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    26   1    -0.25   0.08   0.00     0.23  -0.23   0.02    -0.02   0.01  -0.00
    27   1    -0.34  -0.22   0.06    -0.16  -0.12   0.03    -0.01  -0.01   0.00
    28   1     0.17  -0.19   0.02     0.47  -0.21   0.01    -0.01   0.00   0.00
    29   1     0.08   0.01  -0.03     0.01  -0.01  -0.01     0.01   0.00  -0.00
    30   1    -0.02   0.01  -0.00     0.00   0.02  -0.00     0.00   0.01  -0.00
    31   1     0.08   0.01   0.01     0.01  -0.01   0.02     0.01   0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1426.8675              1456.9537              1476.1770
 Red. masses --      3.5392                 3.5786                 1.2342
 Frc consts  --      4.2454                 4.4757                 1.5846
 IR Inten    --     78.2201                12.0604                 7.4485
 RamAct Fr= 1--    238.7731               149.4469                 8.4032
  Dep-P Fr= 1--      0.2174                 0.2342                 0.6470
  Dep-U Fr= 1--      0.3572                 0.3796                 0.7857
 Alpha2 Fr= 1--      3.0948                 1.8504                 0.0156
 Beta2  Fr= 1--     14.2156                 9.4541                 1.1003
 AlphaG Fr= 1--     -0.2055                -0.4331                -0.0082
 Gamma2 Fr= 1--     -1.0604                -2.6949                 0.7044
 Delta2 Fr= 1--      1.0087                 0.0119                 0.3736
 Raman1 Fr= 1--     955.092                597.788                 33.613
 ROA1   Fr= 1--     -69.521               -258.331                 79.575
 CID1   Fr= 1--      -0.073                 -0.432                  2.367
 Raman2 Fr= 1--     170.587                113.449                 13.204
 ROA2   Fr= 1--     -33.520                -64.773                 13.916
 CID2   Fr= 1--      -0.196                 -0.571                  1.054
 Raman3 Fr= 1--     341.175                226.898                 26.408
 ROA3   Fr= 1--     -69.521               -258.331                 79.575
 CID3   Fr= 1--      -0.204                 -1.139                  3.013
 RC180  Fr= 1--      -0.286                 -0.241                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.14   0.03     0.18  -0.01  -0.01    -0.02  -0.00   0.00
     2   6     0.08   0.15  -0.03    -0.17   0.02   0.01     0.01   0.02  -0.00
     3   6    -0.08   0.07  -0.01    -0.11  -0.05   0.02    -0.01   0.02  -0.00
     4   6     0.06   0.02  -0.01    -0.04   0.20  -0.03     0.03   0.00  -0.00
     5   6     0.10   0.01  -0.01     0.12  -0.05   0.00     0.00  -0.02   0.00
     6   6    -0.11  -0.05   0.02    -0.08  -0.00   0.01    -0.04   0.01   0.00
     7   6    -0.15   0.01   0.01     0.13  -0.00  -0.01     0.00  -0.03   0.00
     8   1     0.53  -0.25   0.01     0.26  -0.26   0.03     0.10  -0.04   0.00
     9   1    -0.18  -0.18   0.04    -0.19  -0.25   0.06     0.08   0.03  -0.01
    10   1     0.27  -0.26   0.03     0.07  -0.10   0.01     0.13  -0.07   0.00
    11   6    -0.03  -0.01   0.01    -0.02  -0.05   0.01    -0.01  -0.00   0.00
    12   6     0.01  -0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.00   0.00   0.02     0.00  -0.00  -0.00
    14   1     0.09   0.03  -0.01     0.38   0.10  -0.03    -0.00  -0.00   0.00
    15   1    -0.04  -0.02  -0.02    -0.07  -0.01   0.03    -0.03  -0.03  -0.04
    16   1     0.01   0.02   0.01     0.01  -0.06   0.04     0.00  -0.00   0.02
    17   1    -0.06   0.03  -0.00    -0.02  -0.00   0.02    -0.03   0.04  -0.03
    18   8     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.02    -0.01   0.02   0.01    -0.00  -0.00   0.00
    21   6     0.17   0.08  -0.03    -0.15   0.04   0.00     0.04   0.03  -0.01
    22   6     0.12  -0.17   0.02    -0.02  -0.14   0.03     0.01  -0.02   0.00
    23   6    -0.14   0.11  -0.01     0.14   0.00  -0.01     0.03  -0.01   0.00
    24   8    -0.06   0.01   0.00     0.01   0.04  -0.01    -0.03  -0.02   0.01
    25   6     0.05   0.03  -0.01     0.03  -0.01   0.00    -0.05  -0.08   0.02
    26   1    -0.07  -0.05   0.01    -0.11   0.15  -0.02    -0.13   0.04   0.00
    27   1    -0.12  -0.11   0.03     0.10   0.23  -0.05    -0.12  -0.07   0.02
    28   1     0.20  -0.05  -0.00    -0.35   0.27  -0.02    -0.14   0.08  -0.00
    29   1    -0.19  -0.12   0.00    -0.11   0.07   0.07     0.38   0.36   0.07
    30   1    -0.01  -0.15   0.03    -0.00  -0.10   0.02     0.13   0.54  -0.11
    31   1    -0.19  -0.11   0.07    -0.12   0.04  -0.08     0.35   0.30  -0.24
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1492.4741              1493.1481              1497.1000
 Red. masses --      1.0479                 1.0461                 1.0559
 Frc consts  --      1.3753                 1.3741                 1.3944
 IR Inten    --      8.7035                 8.7877                 7.1797
 RamAct Fr= 1--      4.9766                 8.4210                 3.7528
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7279
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8425
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0014
 Beta2  Fr= 1--      0.7109                 1.2030                 0.5270
 AlphaG Fr= 1--     -0.0002                -0.0023                 0.0307
 Gamma2 Fr= 1--      0.7890                -0.0584                 0.5760
 Delta2 Fr= 1--     -0.3418                 0.0330                 1.5740
 Raman1 Fr= 1--      19.906                 33.684                 15.011
 ROA1   Fr= 1--      64.803                 -4.551                105.663
 CID1   Fr= 1--       3.255                 -0.135                  7.039
 Raman2 Fr= 1--       8.530                 14.435                  6.324
 ROA2   Fr= 1--      21.670                 -1.665                  1.232
 CID2   Fr= 1--       2.540                 -0.115                  0.195
 Raman3 Fr= 1--      17.061                 28.871                 12.647
 ROA3   Fr= 1--      64.803                 -4.551                105.663
 CID3   Fr= 1--       3.798                 -0.158                  8.355
 RC180  Fr= 1--       0.714                  0.714                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.00    -0.00   0.00  -0.00     0.01   0.01  -0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
     9   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.04  -0.02   0.01
    10   1    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.03   0.01   0.00
    11   6    -0.02   0.01   0.00     0.00  -0.00  -0.00    -0.02  -0.02  -0.01
    12   6    -0.03   0.03  -0.02     0.00  -0.00   0.00    -0.03  -0.04  -0.01
    13   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.01
    14   1     0.03   0.02  -0.06    -0.00  -0.00   0.00     0.04   0.02   0.04
    15   1     0.03   0.21   0.46     0.00  -0.00  -0.00     0.62   0.23   0.06
    16   1    -0.05  -0.37  -0.34     0.00   0.00   0.00    -0.02   0.60  -0.17
    17   1     0.57  -0.39   0.11    -0.00   0.00  -0.00    -0.12  -0.23   0.30
    18   8    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.00  -0.00
    19   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   6     0.01   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    22   6     0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    23   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   8    -0.01  -0.00   0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
    25   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.06    -0.00  -0.01   0.00
    26   1     0.01  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01   0.01  -0.00
    28   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.03    -0.00   0.01  -0.00
    29   1     0.02   0.03   0.01    -0.48  -0.00   0.11     0.01   0.04   0.02
    30   1     0.01   0.04  -0.00     0.05   0.13   0.71     0.00   0.02  -0.00
    31   1     0.03   0.02  -0.02     0.48   0.03   0.03     0.01   0.03  -0.03
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1506.0519              1524.8817              1547.2556
 Red. masses --      1.0655                 2.3850                 3.6146
 Frc consts  --      1.4240                 3.2675                 5.0984
 IR Inten    --     38.8858                59.9367                26.0772
 RamAct Fr= 1--      2.5964               133.3530                 3.8466
  Dep-P Fr= 1--      0.6418                 0.2456                 0.2724
  Dep-U Fr= 1--      0.7818                 0.3944                 0.4282
 Alpha2 Fr= 1--      0.0051                 1.6000                 0.0428
 Beta2  Fr= 1--      0.3383                 8.7650                 0.2745
 AlphaG Fr= 1--      0.0015                -0.1599                -0.0575
 Gamma2 Fr= 1--     -0.0329                -0.7790                -1.0027
 Delta2 Fr= 1--     -0.1026                 0.2027                 0.2650
 Raman1 Fr= 1--      10.386                533.412                 15.387
 ROA1   Fr= 1--      -6.444                -68.299                -87.782
 CID1   Fr= 1--      -0.621                 -0.128                 -5.705
 Raman2 Fr= 1--       4.060                105.180                  3.294
 ROA2   Fr= 1--       0.030                -20.318                -26.186
 CID2   Fr= 1--       0.007                 -0.193                 -7.950
 Raman3 Fr= 1--       8.120                210.360                  6.588
 ROA3   Fr= 1--      -6.444                -68.299                -87.782
 CID3   Fr= 1--      -0.794                 -0.325                -13.325
 RC180  Fr= 1--       0.564                 -0.211                 -0.144
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.10  -0.04   0.00     0.10  -0.05   0.00
     2   6     0.00  -0.00   0.00    -0.08   0.04  -0.00     0.14  -0.09   0.01
     3   6     0.01   0.01  -0.00     0.05  -0.05   0.01    -0.08  -0.03   0.01
     4   6     0.00  -0.02   0.00    -0.12   0.02   0.01     0.08   0.17  -0.04
     5   6    -0.01   0.01  -0.00     0.07   0.07  -0.02    -0.08  -0.15   0.03
     6   6     0.01  -0.01   0.00     0.07  -0.07   0.01    -0.12   0.14  -0.02
     7   6     0.00  -0.01   0.00    -0.11   0.09  -0.01    -0.08   0.10  -0.01
     8   1    -0.02   0.02  -0.00    -0.20   0.07   0.00     0.20  -0.19   0.02
     9   1    -0.01   0.01  -0.00    -0.32  -0.16   0.05     0.37   0.11  -0.05
    10   1    -0.04   0.02  -0.00    -0.29   0.11   0.00     0.44  -0.14  -0.00
    11   6     0.00   0.00  -0.00     0.03  -0.00  -0.00    -0.03  -0.03   0.01
    12   6     0.00   0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.03  -0.01   0.00     0.03   0.00  -0.00     0.16   0.04  -0.02
    15   1    -0.02  -0.01  -0.00    -0.08  -0.04  -0.03     0.04   0.02   0.01
    16   1     0.00  -0.02   0.01     0.01  -0.04   0.08    -0.00   0.03  -0.04
    17   1     0.00   0.01  -0.01    -0.05   0.05  -0.03     0.01  -0.03   0.02
    18   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    19   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00   0.01   0.00
    21   6     0.01   0.01  -0.00    -0.05  -0.09   0.02    -0.06  -0.13   0.03
    22   6    -0.01   0.00   0.00     0.16   0.01  -0.01     0.05   0.18  -0.04
    23   6    -0.01   0.00  -0.00    -0.06   0.04  -0.00    -0.08  -0.05   0.01
    24   8     0.02  -0.01   0.00    -0.06  -0.02   0.01     0.00  -0.03   0.00
    25   6     0.04  -0.03   0.00    -0.03  -0.03   0.01    -0.01  -0.01   0.00
    26   1    -0.02   0.00   0.00     0.38  -0.17   0.00     0.33  -0.11  -0.00
    27   1    -0.04  -0.03   0.01     0.34   0.15  -0.05     0.24   0.05  -0.03
    28   1     0.04  -0.02   0.00     0.24  -0.10   0.00     0.17  -0.18   0.02
    29   1    -0.25   0.51   0.31     0.17   0.20   0.05    -0.01   0.12   0.05
    30   1    -0.08  -0.36   0.07     0.05   0.24  -0.05    -0.03  -0.07   0.01
    31   1    -0.31   0.38  -0.43     0.15   0.16  -0.14    -0.02   0.09  -0.09
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1615.2904              1651.6100              1672.3923
 Red. masses --      6.9900                 5.5257                 6.1270
 Frc consts  --     10.7455                 8.8808                10.0966
 IR Inten    --      5.2068                84.5677                86.9774
 RamAct Fr= 1--     47.5502                15.5924               191.9441
  Dep-P Fr= 1--      0.2920                 0.4100                 0.4381
  Dep-U Fr= 1--      0.4520                 0.5816                 0.6093
 Alpha2 Fr= 1--      0.4995                 0.1114                 1.2335
 Beta2  Fr= 1--      3.5818                 1.5114                19.4908
 AlphaG Fr= 1--      0.2102                -0.0310                -0.2418
 Gamma2 Fr= 1--     -0.1672                 0.0376                -1.6102
 Delta2 Fr= 1--      0.3368                -1.0521                -0.2717
 Raman1 Fr= 1--     190.201                 62.370                767.776
 ROA1   Fr= 1--      -5.270                -30.055               -163.275
 CID1   Fr= 1--      -0.028                 -0.482                 -0.213
 Raman2 Fr= 1--      42.982                 18.137                233.890
 ROA2   Fr= 1--      -6.706                  9.320                -36.471
 CID2   Fr= 1--      -0.156                  0.514                 -0.156
 Raman3 Fr= 1--      85.964                 36.274                467.780
 ROA3   Fr= 1--      -5.270                -30.055               -163.275
 CID3   Fr= 1--      -0.061                 -0.829                 -0.349
 RC180  Fr= 1--      -0.096                  0.163                  0.219
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.27   0.05    -0.06   0.01   0.00    -0.24   0.09   0.00
     2   6     0.09   0.27  -0.06     0.02  -0.02   0.00     0.23  -0.08  -0.00
     3   6    -0.08   0.17  -0.03     0.22  -0.15   0.01     0.18  -0.09   0.00
     4   6     0.01  -0.23   0.04    -0.19   0.13  -0.01    -0.11   0.06  -0.00
     5   6     0.18   0.13  -0.04     0.23   0.03  -0.02     0.16   0.02  -0.01
     6   6    -0.13  -0.08   0.02    -0.23   0.05   0.01    -0.20   0.07   0.00
     7   6     0.14   0.08  -0.02    -0.20   0.03   0.01     0.27  -0.08  -0.00
     8   1     0.32  -0.03  -0.02    -0.36   0.14   0.00    -0.27   0.14  -0.01
     9   1    -0.21  -0.12   0.03    -0.22  -0.26   0.06    -0.11  -0.15   0.03
    10   1     0.07  -0.19   0.03     0.17  -0.18   0.02     0.22  -0.16   0.01
    11   6     0.01   0.02  -0.00     0.02  -0.02  -0.00     0.01  -0.01  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   6    -0.01  -0.00  -0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    14   1    -0.17  -0.04   0.02     0.12   0.02  -0.01     0.05   0.01  -0.00
    15   1    -0.01   0.00   0.02    -0.02  -0.01  -0.00    -0.00  -0.00  -0.00
    16   1    -0.00  -0.02  -0.00     0.00  -0.00   0.03     0.00   0.00   0.01
    17   1     0.02  -0.00  -0.00    -0.02   0.01   0.00    -0.01   0.00   0.00
    18   8     0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    20   1     0.00  -0.00   0.00     0.00   0.01  -0.02     0.01  -0.00  -0.02
    21   6    -0.20  -0.15   0.04     0.22   0.02  -0.02    -0.22  -0.01   0.02
    22   6    -0.03   0.27  -0.05    -0.17   0.13  -0.01     0.14  -0.10   0.01
    23   6     0.09  -0.20   0.03     0.15  -0.12   0.01    -0.20   0.12  -0.01
    24   8     0.03  -0.02   0.00     0.03  -0.01   0.00    -0.01   0.01  -0.00
    25   6    -0.01   0.00   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    26   1    -0.04   0.19  -0.03     0.12  -0.16   0.02    -0.28   0.22  -0.02
    27   1     0.19   0.11  -0.03    -0.19  -0.26   0.06     0.13   0.23  -0.05
    28   1    -0.36   0.02   0.02    -0.26   0.07   0.00     0.31  -0.14   0.00
    29   1     0.01   0.00  -0.00    -0.06  -0.04  -0.01     0.04   0.05   0.02
    30   1    -0.03  -0.05   0.01    -0.02  -0.09   0.02     0.01   0.05  -0.01
    31   1     0.01   0.00   0.00    -0.05  -0.03   0.04     0.03   0.04  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1835.7563              3011.0945              3013.7568
 Red. masses --     10.4395                 1.0345                 1.0813
 Frc consts  --     20.7281                 5.5264                 5.7867
 IR Inten    --    408.7640                47.6301                10.7406
 RamAct Fr= 1--     31.4878               196.5757                85.5075
  Dep-P Fr= 1--      0.3032                 0.0588                 0.1336
  Dep-U Fr= 1--      0.4653                 0.1111                 0.2357
 Alpha2 Fr= 1--      0.3199                 3.8024                 1.3776
 Beta2  Fr= 1--      2.4418                 3.6385                 3.3596
 AlphaG Fr= 1--     -1.0289                -0.0976                -0.2774
 Gamma2 Fr= 1--     -4.2533                 0.4872                -2.9035
 Delta2 Fr= 1--      0.3503                 0.2605                -1.7967
 Raman1 Fr= 1--     125.951                786.303                342.030
 ROA1   Fr= 1--    -397.109                 55.103               -336.225
 CID1   Fr= 1--      -3.153                  0.070                 -0.983
 Raman2 Fr= 1--      29.301                 43.662                 40.315
 ROA2   Fr= 1--    -104.882                  9.607                -55.310
 CID2   Fr= 1--      -3.579                  0.220                 -1.372
 Raman3 Fr= 1--      58.602                 87.325                 80.630
 ROA3   Fr= 1--    -397.109                 55.103               -336.225
 CID3   Fr= 1--      -6.776                  0.631                 -4.170
 RC180  Fr= 1--      -0.069                 -0.778                 -0.529
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.01  -0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.00
    10   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.04  -0.03  -0.00     0.00  -0.00   0.00     0.03  -0.07   0.02
    12   6     0.01   0.00  -0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    13   6     0.63   0.37  -0.12    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.02  -0.01  -0.04    -0.01   0.02  -0.01    -0.33   0.89  -0.27
    15   1     0.01   0.03   0.03     0.00  -0.00   0.00     0.03  -0.08   0.03
    16   1     0.03   0.05   0.04    -0.00   0.00  -0.00     0.01   0.00   0.00
    17   1    -0.07  -0.03   0.09    -0.00   0.00   0.00    -0.01  -0.01  -0.01
    18   8    -0.40  -0.23   0.08     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.04  -0.03  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   1    -0.06   0.14   0.42     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    22   6    -0.01   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    25   6    -0.00  -0.00   0.00    -0.00   0.05  -0.01     0.00  -0.00   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    27   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1    -0.01   0.00   0.00     0.01   0.02  -0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.17  -0.25   0.60    -0.00   0.01  -0.02
    30   1    -0.00  -0.00   0.00    -0.28   0.09   0.00     0.01  -0.00  -0.00
    31   1    -0.00   0.00  -0.00     0.09  -0.45  -0.49    -0.00   0.01   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3050.6222              3067.6384              3114.0768
 Red. masses --      1.0349                 1.1058                 1.1027
 Frc consts  --      5.6744                 6.1309                 6.3004
 IR Inten    --     16.4755                33.0668                15.9485
 RamAct Fr= 1--    165.8969                45.3310                32.7825
  Dep-P Fr= 1--      0.0252                 0.7500                 0.6524
  Dep-U Fr= 1--      0.0492                 0.8571                 0.7896
 Alpha2 Fr= 1--      3.4750                 0.0000                 0.0574
 Beta2  Fr= 1--      1.3602                 6.4756                 4.3144
 AlphaG Fr= 1--     -0.1571                -0.0342                 0.0179
 Gamma2 Fr= 1--      1.3052                -0.5679                -4.7653
 Delta2 Fr= 1--      3.3161                -0.1791                -1.2788
 Raman1 Fr= 1--     663.588                181.324                131.130
 ROA1   Fr= 1--     231.416                -60.253               -498.395
 CID1   Fr= 1--       0.349                 -0.332                 -3.801
 Raman2 Fr= 1--      16.323                 77.708                 51.773
 ROA2   Fr= 1--       4.796                -12.198               -104.137
 CID2   Fr= 1--       0.294                 -0.157                 -2.011
 Raman3 Fr= 1--      32.646                155.415                103.545
 ROA3   Fr= 1--     231.416                -60.253               -498.395
 CID3   Fr= 1--       7.089                 -0.388                 -4.813
 RC180  Fr= 1--      -0.902                  0.714                  0.579
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.00  -0.01   0.00     0.00   0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.01   0.00
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    12   6    -0.00  -0.01   0.05     0.00   0.00  -0.00     0.00  -0.09  -0.01
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.03  -0.01     0.00  -0.00   0.00    -0.03   0.08  -0.03
    15   1    -0.20   0.56  -0.19     0.00  -0.00   0.00    -0.23   0.63  -0.24
    16   1     0.47  -0.01  -0.02    -0.00   0.00   0.00    -0.04  -0.02  -0.00
    17   1    -0.24  -0.45  -0.37     0.00   0.00   0.00     0.27   0.48   0.41
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.09     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    28   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1     0.00  -0.00   0.00     0.19  -0.28   0.62    -0.00   0.00  -0.00
    30   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.02    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.11   0.48   0.50    -0.00   0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3133.1339              3140.1729              3157.1065
 Red. masses --      1.1020                 1.0993                 1.0898
 Frc consts  --      6.3738                 6.3867                 6.3997
 IR Inten    --     17.1214                22.8754                 6.6750
 RamAct Fr= 1--    155.1231               168.0064                42.9168
  Dep-P Fr= 1--      0.4867                 0.4019                 0.2710
  Dep-U Fr= 1--      0.6548                 0.5734                 0.4264
 Alpha2 Fr= 1--      0.8139                 1.2360                 0.4793
 Beta2  Fr= 1--     16.9284                16.0553                 3.0500
 AlphaG Fr= 1--      0.5607                -0.0017                -0.2169
 Gamma2 Fr= 1--      5.8951                -0.3990                 0.8002
 Delta2 Fr= 1--     -1.1009                 0.1308                 1.2852
 Raman1 Fr= 1--     620.492                672.026                171.667
 ROA1   Fr= 1--     530.695                -34.114                117.946
 CID1   Fr= 1--       0.855                 -0.051                  0.687
 Raman2 Fr= 1--     203.141                192.663                 36.599
 ROA2   Fr= 1--     150.289                -10.622                  8.924
 CID2   Fr= 1--       0.740                 -0.055                  0.244
 Raman3 Fr= 1--     406.282                385.327                 73.199
 ROA3   Fr= 1--     530.695                -34.114                117.946
 CID3   Fr= 1--       1.306                 -0.089                  1.611
 RC180  Fr= 1--       0.310                  0.147                 -0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
     4   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     8   1     0.01   0.01  -0.00     0.00   0.00  -0.00     0.45   0.86  -0.19
     9   1    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.02   0.04  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6    -0.09   0.00  -0.02     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   1     0.01  -0.03   0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.08  -0.26   0.09    -0.00   0.00  -0.00    -0.01   0.03  -0.01
    16   1     0.88  -0.02  -0.05    -0.00   0.00   0.00    -0.01  -0.00   0.00
    17   1     0.12   0.26   0.21    -0.00  -0.00  -0.00     0.00   0.01   0.01
    18   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    19   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   6    -0.00   0.00  -0.00    -0.08   0.04  -0.00     0.00  -0.00  -0.00
    26   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.04  -0.07   0.02
    27   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    28   1     0.00   0.00  -0.00     0.01   0.02  -0.01    -0.00   0.00   0.00
    29   1     0.00  -0.00   0.00     0.04  -0.06   0.18     0.00  -0.00  -0.00
    30   1     0.00  -0.00  -0.00     0.92  -0.27  -0.01    -0.00   0.00   0.00
    31   1     0.00  -0.00  -0.00     0.02  -0.12  -0.15     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3161.5794              3174.9084              3179.2345
 Red. masses --      1.0863                 1.0882                 1.0945
 Frc consts  --      6.3977                 6.4631                 6.5180
 IR Inten    --      4.9885                 6.3767                14.4098
 RamAct Fr= 1--     65.8449                64.1767               158.4556
  Dep-P Fr= 1--      0.6752                 0.5662                 0.1688
  Dep-U Fr= 1--      0.8061                 0.7230                 0.2888
 Alpha2 Fr= 1--      0.0872                 0.2232                 2.3347
 Beta2  Fr= 1--      8.8461                 7.7335                 7.6274
 AlphaG Fr= 1--      0.0663                 0.0002                 0.2351
 Gamma2 Fr= 1--      1.6004                 0.3318                -0.0752
 Delta2 Fr= 1--      0.8150                -0.0450                -0.6975
 Raman1 Fr= 1--     263.380                256.707                633.822
 ROA1   Fr= 1--     179.720                 30.416                -29.543
 CID1   Fr= 1--       0.682                  0.118                 -0.047
 Raman2 Fr= 1--     106.153                 92.802                 91.529
 ROA2   Fr= 1--      31.891                  8.323                  3.775
 CID2   Fr= 1--       0.300                  0.090                  0.041
 Raman3 Fr= 1--     212.306                185.605                183.058
 ROA3   Fr= 1--     179.720                 30.416                -29.543
 CID3   Fr= 1--       0.847                  0.164                 -0.161
 RC180  Fr= 1--       0.612                  0.446                 -0.422
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6     0.03  -0.06   0.01     0.00  -0.00   0.00     0.03  -0.05   0.01
     6   6     0.02   0.05  -0.01    -0.00  -0.00   0.00    -0.03  -0.06   0.01
     7   6     0.00   0.00  -0.00    -0.04  -0.07   0.02     0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00     0.04   0.07  -0.02    -0.02  -0.04   0.01
     9   1    -0.41   0.65  -0.09    -0.01   0.02  -0.00    -0.33   0.52  -0.07
    10   1    -0.28  -0.54   0.12     0.01   0.02  -0.00     0.36   0.67  -0.15
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   1    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   1    -0.01   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   6     0.00  -0.00   0.00    -0.01   0.02  -0.00     0.00  -0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.00     0.43   0.81  -0.18    -0.01  -0.02   0.00
    27   1    -0.00   0.00  -0.00     0.18  -0.28   0.04    -0.01   0.01  -0.00
    28   1     0.01   0.02  -0.00     0.01   0.02  -0.00    -0.02  -0.04   0.01
    29   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   1     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3200.3067              3206.0031              3715.3566
 Red. masses --      1.0939                 1.0892                 1.0650
 Frc consts  --      6.6013                 6.5963                 8.6619
 IR Inten    --      4.7939                 8.9580               134.5524
 RamAct Fr= 1--    187.1851                82.2738               184.5953
  Dep-P Fr= 1--      0.2128                 0.2566                 0.2270
  Dep-U Fr= 1--      0.3509                 0.4084                 0.3700
 Alpha2 Fr= 1--      2.4570                 0.9572                 2.3315
 Beta2  Fr= 1--     10.9459                 5.6001                11.3828
 AlphaG Fr= 1--     -0.0095                -0.0048                -3.1300
 Gamma2 Fr= 1--     -0.4174                -0.0005               -33.6896
 Delta2 Fr= 1--      0.4375                 0.0410                 1.3392
 Raman1 Fr= 1--     748.740                329.095                738.381
 ROA1   Fr= 1--     -26.069                  1.268              -3191.345
 CID1   Fr= 1--      -0.035                  0.004                 -4.322
 Raman2 Fr= 1--     131.351                 67.201                136.594
 ROA2   Fr= 1--     -13.517                 -0.339               -819.264
 CID2   Fr= 1--      -0.103                 -0.005                 -5.998
 Raman3 Fr= 1--     262.702                134.402                273.188
 ROA3   Fr= 1--     -26.069                  1.268              -3191.345
 CID3   Fr= 1--      -0.099                  0.009                -11.682
 RC180  Fr= 1--      -0.298                 -0.183                 -0.260
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.02  -0.02   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   1     0.00  -0.00   0.00    -0.01   0.01  -0.00    -0.00   0.00  -0.00
    10   1    -0.00  -0.00   0.00     0.02   0.05  -0.01     0.00   0.00  -0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    19   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.03   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.89   0.45  -0.02
    21   6     0.05  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23   6    -0.00   0.00  -0.00    -0.04  -0.08   0.02     0.00  -0.00   0.00
    24   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    25   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1     0.16   0.28  -0.06    -0.01  -0.02   0.00    -0.00  -0.00   0.00
    27   1    -0.52   0.78  -0.10    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    28   1    -0.00  -0.01   0.00     0.45   0.86  -0.19     0.00   0.00  -0.00
    29   1     0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.00   0.00  -0.00
    30   1     0.00  -0.00   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
    31   1     0.00   0.00   0.00    -0.00   0.01   0.02    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  8 and mass  15.99491
 Atom    19 has atomic number  8 and mass  15.99491
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  8 and mass  15.99491
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Molecular mass:   230.09429 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.007688565.053429014.99569
           X            0.99993   0.00039  -0.01150
           Y           -0.00077   0.99945  -0.03303
           Z            0.01148   0.03303   0.99939
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06359     0.01011     0.00961
 Rotational constants (GHZ):           1.32506     0.21071     0.20019
 Zero-point vibrational energy     657833.2 (Joules/Mol)
                                  157.22591 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     30.12    44.58    66.74   130.44   174.33
          (Kelvin)            207.38   262.16   270.99   314.24   332.36
                              372.80   412.80   477.38   516.40   576.87
                              596.47   669.91   693.32   699.45   733.35
                              768.12   777.40   831.97   869.30   915.15
                              990.82   999.58  1063.53  1119.84  1129.57
                             1180.38  1199.57  1208.91  1246.18  1267.75
                             1334.25  1363.88  1383.34  1394.61  1413.22
                             1480.52  1527.51  1570.54  1581.08  1657.07
                             1689.08  1691.43  1697.13  1718.83  1725.13
                             1758.37  1793.87  1863.03  1867.69  1874.72
                             1904.27  1922.09  1994.12  2014.79  2036.33
                             2052.94  2096.23  2123.89  2147.34  2148.31
                             2153.99  2166.87  2193.96  2226.16  2324.04
                             2376.30  2406.20  2641.24  4332.29  4336.12
                             4389.16  4413.65  4480.46  4507.88  4518.01
                             4542.37  4548.81  4567.99  4574.21  4604.53
                             4612.72  5345.57
 
 Zero-point correction=                           0.250555 (Hartree/Particle)
 Thermal correction to Energy=                    0.265801
 Thermal correction to Enthalpy=                  0.266745
 Thermal correction to Gibbs Free Energy=         0.206535
 Sum of electronic and zero-point Energies=           -767.721876
 Sum of electronic and thermal Energies=              -767.706630
 Sum of electronic and thermal Enthalpies=            -767.705686
 Sum of electronic and thermal Free Energies=         -767.765896
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  166.793             58.690            126.722
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.202
 Rotational               0.889              2.981             33.019
 Vibrational            165.015             52.728             51.501
 Vibration     1          0.593              1.986              6.544
 Vibration     2          0.594              1.984              5.766
 Vibration     3          0.595              1.979              4.966
 Vibration     4          0.602              1.956              3.646
 Vibration     5          0.609              1.932              3.082
 Vibration     6          0.616              1.909              2.748
 Vibration     7          0.630              1.864              2.306
 Vibration     8          0.633              1.856              2.244
 Vibration     9          0.646              1.813              1.972
 Vibration    10          0.653              1.794              1.871
 Vibration    11          0.668              1.747              1.668
 Vibration    12          0.684              1.698              1.492
 Vibration    13          0.714              1.612              1.251
 Vibration    14          0.734              1.557              1.127
 Vibration    15          0.767              1.468              0.959
 Vibration    16          0.778              1.439              0.911
 Vibration    17          0.823              1.326              0.750
 Vibration    18          0.838              1.290              0.705
 Vibration    19          0.842              1.281              0.694
 Vibration    20          0.865              1.228              0.634
 Vibration    21          0.889              1.175              0.579
 Vibration    22          0.895              1.161              0.565
 Vibration    23          0.935              1.078              0.489
 Vibration    24          0.963              1.023              0.443
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.100089D-94        -94.999612       -218.744691
 Total V=0       0.176923D+21         20.247783         46.622244
 Vib (Bot)       0.198743-109       -109.701708       -252.597518
 Vib (Bot)    1  0.989514D+01          0.995422          2.292044
 Vib (Bot)    2  0.668240D+01          0.824933          1.899477
 Vib (Bot)    3  0.445830D+01          0.649170          1.494768
 Vib (Bot)    4  0.226757D+01          0.355560          0.818708
 Vib (Bot)    5  0.168618D+01          0.226905          0.522467
 Vib (Bot)    6  0.140915D+01          0.148957          0.342986
 Vib (Bot)    7  0.110147D+01          0.041973          0.096646
 Vib (Bot)    8  0.106325D+01          0.026637          0.061333
 Vib (Bot)    9  0.906260D+00         -0.042747         -0.098429
 Vib (Bot)   10  0.852239D+00         -0.069439         -0.159888
 Vib (Bot)   11  0.749938D+00         -0.124975         -0.287765
 Vib (Bot)   12  0.667639D+00         -0.175459         -0.404008
 Vib (Bot)   13  0.562518D+00         -0.249863         -0.575332
 Vib (Bot)   14  0.511049D+00         -0.291537         -0.671289
 Vib (Bot)   15  0.444234D+00         -0.352388         -0.811403
 Vib (Bot)   16  0.425296D+00         -0.371309         -0.854970
 Vib (Bot)   17  0.363603D+00         -0.439372         -1.011691
 Vib (Bot)   18  0.346509D+00         -0.460286         -1.059848
 Vib (Bot)   19  0.342211D+00         -0.465706         -1.072327
 Vib (Bot)   20  0.319660D+00         -0.495311         -1.140496
 Vib (Bot)   21  0.298484D+00         -0.525079         -1.209040
 Vib (Bot)   22  0.293137D+00         -0.532930         -1.227116
 Vib (Bot)   23  0.263988D+00         -0.578416         -1.331852
 Vib (Bot)   24  0.246073D+00         -0.608936         -1.402126
 Vib (V=0)       0.351308D+06          5.545687         12.769417
 Vib (V=0)    1  0.104078D+02          1.017357          2.342552
 Vib (V=0)    2  0.720108D+01          0.857398          1.974231
 Vib (V=0)    3  0.498625D+01          0.697774          1.606685
 Vib (V=0)    4  0.282204D+01          0.450563          1.037460
 Vib (V=0)    5  0.225875D+01          0.353869          0.814813
 Vib (V=0)    6  0.199523D+01          0.299992          0.690757
 Vib (V=0)    7  0.170964D+01          0.232906          0.536285
 Vib (V=0)    8  0.167495D+01          0.224002          0.515783
 Vib (V=0)    9  0.153504D+01          0.186120          0.428556
 Vib (V=0)   10  0.148808D+01          0.172628          0.397490
 Vib (V=0)   11  0.140134D+01          0.146542          0.337426
 Vib (V=0)   12  0.133411D+01          0.125192          0.288265
 Vib (V=0)   13  0.125261D+01          0.097817          0.225232
 Vib (V=0)   14  0.121496D+01          0.084563          0.194713
 Vib (V=0)   15  0.116884D+01          0.067754          0.156010
 Vib (V=0)   16  0.115641D+01          0.063113          0.145322
 Vib (V=0)   17  0.111823D+01          0.048531          0.111746
 Vib (V=0)   18  0.110833D+01          0.044670          0.102856
 Vib (V=0)   19  0.110589D+01          0.043714          0.100655
 Vib (V=0)   20  0.109345D+01          0.038799          0.089338
 Vib (V=0)   21  0.108232D+01          0.034354          0.079104
 Vib (V=0)   22  0.107959D+01          0.033260          0.076585
 Vib (V=0)   23  0.106541D+01          0.027517          0.063361
 Vib (V=0)   24  0.105727D+01          0.024187          0.055692
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.137187D+09          8.137313         18.736855
 Rotational      0.367099D+07          6.564783         15.115972
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3            3333333333333                             111111111111111111111111111111111                                        
     7            2211111110000                             866655544444444333322221111110000999998888877766665555444443322221111    
     1            0077654316511                             3751420999752108320994299877599628664286432873983074318861053853188429432
     5            6095270348141                             6225756732677506643857295064292292918716040589596480406265192791882411611
 
     X            XXXXXXXXXXXXX                             XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
     X                     X  X                             XXX  XX     X   X XXXX    X    X      X           X                      
     X                                                      XXX  X      X   X  XXX         X                                         
     X                                                      XXX         X   X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  XXX                                                   
     X                                                      X               X  X X                                                   
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
                                                            X                                                                        
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000002741    0.000003986   -0.000001464
      2        6          -0.000006029    0.000000575    0.000000669
      3        6           0.000006321    0.000003576    0.000003242
      4        6           0.000004593   -0.000009776   -0.000000919
      5        6          -0.000004242    0.000000805    0.000001953
      6        6           0.000006877    0.000000063   -0.000000546
      7        6           0.000006975   -0.000003671   -0.000000612
      8        1          -0.000000070   -0.000001242   -0.000001156
      9        1           0.000001020    0.000000742   -0.000001219
     10        1          -0.000001695    0.000000871   -0.000000588
     11        6          -0.000016424   -0.000003783    0.000013757
     12        6          -0.000008382   -0.000000266   -0.000015311
     13        6           0.000035952    0.000008978   -0.000031247
     14        1           0.000000527    0.000002278   -0.000002293
     15        1           0.000005772   -0.000000656    0.000003258
     16        1           0.000000724    0.000001247   -0.000005115
     17        1           0.000003755   -0.000000511   -0.000000968
     18        8          -0.000021143   -0.000009846    0.000008178
     19        8          -0.000012453    0.000004106    0.000027311
     20        1          -0.000000330    0.000000848   -0.000003207
     21        6           0.000001932   -0.000006432    0.000002697
     22        6          -0.000016271    0.000012808    0.000004250
     23        6           0.000022271   -0.000010195   -0.000000666
     24        8           0.000017930    0.000017841   -0.000011625
     25        6          -0.000032317   -0.000031672    0.000012631
     26        1          -0.000001233    0.000000018    0.000000455
     27        1           0.000000094    0.000001054    0.000000761
     28        1           0.000007847    0.000004028   -0.000001140
     29        1           0.000000629    0.000005584   -0.000002903
     30        1           0.000001229    0.000001491    0.000001260
     31        1          -0.000001116    0.000007152    0.000000561
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035952 RMS     0.000010061
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.289118D+03 -0.116291D+02 -0.982481D+01
      2  -0.116291D+02  0.174137D+03 -0.824564D+01
      3  -0.982481D+01 -0.824564D+01  0.119333D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.100561D+02  0.192055D+02 -0.147863D+02
      2  -0.238848D+02 -0.124551D+02 -0.278743D+02
      3   0.487969D+02 -0.578714D+02  0.199365D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.309404D+03 -0.928496D+02 -0.134371D+02
      2  -0.136944D+03  0.750554D+02 -0.126958D+02
      3  -0.172460D+03  0.177942D+02  0.261328D+02
      4  -0.193431D+02  0.118888D+03 -0.412819D+02
      5   0.469337D+02 -0.498453D+02 -0.592535D+02
      6  -0.236629D+02  0.398836D+02  0.242336D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.357660D+02  0.744146D+01  0.592922D+00 -0.365948D+02  0.114878D+02
      2   0.744146D+01 -0.342577D+01  0.691680D-01  0.114878D+02 -0.108541D+02
      3   0.592922D+00  0.691680D-01  0.112938D+00  0.760145D-01  0.111025D+01
                 6             7             8             9            10 
      1   0.760145D-01  0.922456D+01 -0.284893D+01 -0.818642D+00  0.435036D+02
      2   0.111025D+01 -0.284893D+01  0.179527D+01 -0.122082D+01 -0.998358D+01
      3   0.168742D-01 -0.818642D+00 -0.122082D+01  0.576207D+00 -0.737813D+00
                11            12            13            14            15 
      1  -0.998358D+01 -0.737813D+00  0.341444D+02 -0.100709D+02  0.242884D-01
      2   0.694525D+01 -0.686574D+00 -0.100709D+02  0.880999D+01 -0.811374D+00
      3  -0.686574D+00 -0.143710D+00  0.242884D-01 -0.811374D+00  0.110458D-01
                16            17            18            19            20 
      1  -0.895297D+01  0.282144D+01  0.150290D+01  0.322660D+02 -0.741015D+01
      2   0.282144D+01 -0.179843D+01  0.907008D+00 -0.741015D+01  0.517568D+01
      3   0.150290D+01  0.907008D+00 -0.370421D+00 -0.267189D+00 -0.643435D+00
                21            22            23            24            25 
      1  -0.267189D+00 -0.233505D+02  0.362086D+01 -0.105847D+00  0.299223D+01
      2  -0.643435D+00  0.362086D+01 -0.573227D+01 -0.856303D-01 -0.719782D+00
      3   0.162151D+00 -0.105847D+00 -0.856303D-01 -0.167488D+01 -0.106692D+01
                26            27            28            29            30 
      1  -0.719782D+00 -0.106692D+01 -0.430668D+02  0.590207D+01  0.377925D+00
      2  -0.361616D+00 -0.298431D+01  0.590207D+01 -0.305798D+01 -0.237082D+00
      3  -0.298431D+01  0.169766D+01  0.377925D+00 -0.237082D+00 -0.207465D+01
                31            32            33            34            35 
      1   0.121166D+02 -0.122371D+01 -0.155491D+01 -0.487141D+01 -0.969692D+00
      2  -0.122371D+01  0.100458D+02 -0.153494D+01 -0.969692D+00 -0.951672D+00
      3  -0.155491D+01 -0.153494D+01  0.420655D+00 -0.654947D+01  0.121394D+01
                36            37            38            39            40 
      1  -0.654947D+01 -0.217643D+01 -0.910497D+00  0.307950D+00  0.997627D+01
      2   0.121394D+01 -0.910497D+00 -0.966131D+01  0.166755D+01 -0.266588D+01
      3   0.190247D+00  0.307950D+00  0.166755D+01 -0.179042D+01 -0.439639D+00
                41            42            43            44            45 
      1  -0.266588D+01 -0.439639D+00 -0.213523D+01 -0.214883D+00 -0.483326D+01
      2  -0.164244D+01  0.135960D+01 -0.214883D+00  0.220353D+01  0.313819D+01
      3   0.135960D+01  0.129966D+01 -0.483326D+01  0.313819D+01 -0.863158D+00
                46            47            48            49            50 
      1   0.776751D+01 -0.147420D+01 -0.447107D-01  0.415839D+00 -0.132756D+01
      2  -0.147420D+01  0.749822D+01 -0.590175D+00 -0.132756D+01  0.252389D+00
      3  -0.447107D-01 -0.590175D+00  0.167781D+01  0.591524D+00  0.976931D+00
                51            52            53            54            55 
      1   0.591524D+00 -0.227163D+00  0.748580D+00  0.136394D+01 -0.130779D+02
      2   0.976931D+00  0.748580D+00  0.965108D+00  0.372786D+01  0.357788D+01
      3   0.777293D+00  0.136394D+01  0.372786D+01 -0.181072D+01  0.116073D-01
                56            57            58            59            60 
      1   0.357788D+01  0.116073D-01  0.380615D+01 -0.403696D+00 -0.683679D+00
      2  -0.101599D+02  0.115372D+01 -0.403696D+00  0.133293D+01 -0.109939D+01
      3   0.115372D+01 -0.164571D+01 -0.683679D+00 -0.109939D+01 -0.792716D+00
                61            62            63            64            65 
      1  -0.263145D+00 -0.787333D+00 -0.175583D+01 -0.245906D+01 -0.230036D+01
      2  -0.787333D+00 -0.823977D+00 -0.333107D+01 -0.230036D+01 -0.141271D+01
      3  -0.175583D+01 -0.333107D+01  0.188544D+01  0.550311D+00  0.318311D+00
                66            67            68            69            70 
      1   0.550311D+00 -0.315956D+01 -0.283151D+01  0.716694D+00  0.812562D+00
      2   0.318311D+00 -0.283151D+01 -0.495597D+01  0.992796D+00  0.664898D+00
      3  -0.456881D+00  0.716694D+00  0.992796D+00 -0.988573D+00 -0.231825D+00
                71            72            73            74            75 
      1   0.664898D+00 -0.231825D+00 -0.444562D+01  0.308524D+01 -0.234024D+00
      2   0.959375D+00 -0.290016D+00  0.308524D+01 -0.332416D+01  0.342938D+00
      3  -0.290016D+00  0.254202D+00 -0.234024D+00  0.342938D+00 -0.370673D+00
                76            77            78            79            80 
      1   0.339929D+01 -0.443773D+01  0.656662D+00 -0.256369D+00  0.690196D+00
      2  -0.443773D+01  0.766139D+01 -0.869226D+00  0.690196D+00 -0.108581D+01
      3   0.656662D+00 -0.869226D+00  0.863025D+00  0.399611D+00  0.268572D+00
                81            82            83            84            85 
      1   0.399611D+00  0.174156D+01  0.212088D+01 -0.476390D+00  0.113115D+01
      2   0.268572D+00  0.212088D+01  0.310470D+01 -0.632350D+00  0.244836D+01
      3  -0.214272D+00 -0.476390D+00 -0.632350D+00  0.482293D+00 -0.448576D+00
                86            87            88            89            90 
      1   0.244836D+01 -0.448576D+00 -0.320600D+00 -0.534518D+00  0.141930D+00
      2   0.872087D+01 -0.156212D+01 -0.534518D+00 -0.179245D+01  0.418161D+00
      3  -0.156212D+01  0.112252D+01  0.141930D+00  0.418161D+00 -0.275495D+00
                91            92            93            94            95 
      1   0.135020D+02 -0.162952D+01  0.338237D+00  0.376975D+01  0.946815D+00
      2  -0.162952D+01  0.148858D+01  0.687777D+00  0.946815D+00 -0.348067D+01
      3   0.338237D+00  0.687777D+00  0.289862D+01  0.371343D+00  0.175732D+01
                96            97            98            99           100 
      1   0.371343D+00 -0.233003D+01  0.113784D+01  0.742185D+01  0.814641D+01
      2   0.175732D+01  0.113784D+01  0.160800D+01 -0.313196D-02 -0.621763D+00
      3   0.112151D+01  0.742185D+01 -0.313196D-02 -0.166567D+01 -0.167074D+01
               101           102           103           104           105 
      1  -0.621763D+00 -0.167074D+01 -0.206783D+01 -0.164449D+01 -0.721079D-01
      2  -0.166368D+01 -0.507101D+00 -0.164449D+01  0.143316D+01 -0.335582D+01
      3  -0.507101D+00 -0.240016D+01 -0.721079D-01 -0.335582D+01 -0.145369D+01
               106           107           108           109           110 
      1   0.531454D+01 -0.854434D+00 -0.506285D+01  0.651671D+01  0.338904D+01
      2  -0.854434D+00 -0.235944D+01 -0.656299D+00  0.338904D+01  0.116605D+01
      3  -0.506285D+01 -0.656299D+00  0.269478D+01 -0.130512D+01 -0.287916D+00
               111           112           113           114           115 
      1  -0.130512D+01  0.102085D+01  0.136203D+01 -0.866407D+00 -0.680423D+01
      2  -0.287916D+00  0.136203D+01  0.738690D+00 -0.832039D+00 -0.110046D+01
      3  -0.890194D+00 -0.866407D+00 -0.832039D+00 -0.256448D+00 -0.358866D+01
               116           117           118           119           120 
      1  -0.110046D+01 -0.358866D+01 -0.460530D+00  0.201325D+01 -0.648782D+00
      2  -0.138618D+01 -0.537707D-01  0.201325D+01 -0.178806D+01  0.105566D-01
      3  -0.537707D-01  0.194172D+00 -0.648782D+00  0.105566D-01 -0.113489D+01
               121           122           123           124           125 
      1   0.415956D+01 -0.216166D+01  0.190431D+00 -0.122490D+01  0.120418D+00
      2  -0.216166D+01  0.581677D+01 -0.935923D+00  0.120418D+00 -0.127718D+01
      3   0.190431D+00 -0.935923D+00  0.138739D+01 -0.140487D+01  0.102934D+01
               126           127           128           129           130 
      1  -0.140487D+01  0.137143D+00 -0.624047D+00  0.189235D+00 -0.201601D+01
      2   0.102934D+01 -0.624047D+00  0.771391D+00 -0.274562D+00  0.529366D-01
      3  -0.436546D+00  0.189235D+00 -0.274562D+00  0.121107D+01  0.580352D+00
               131           132           133           134           135 
      1   0.529366D-01  0.580352D+00  0.271379D+00  0.108680D+00  0.244865D+00
      2  -0.393347D+01  0.214999D+01  0.108680D+00  0.150497D+01 -0.118954D+01
      3   0.214999D+01 -0.265348D+01  0.244865D+00 -0.118954D+01  0.172190D+01
               136           137           138           139           140 
      1  -0.145757D+02  0.747096D+00  0.351202D+01  0.395304D+00 -0.112493D+01
      2   0.747096D+00 -0.892271D+00 -0.284234D+00 -0.112493D+01  0.337663D-01
      3   0.351202D+01 -0.284234D+00 -0.241649D+01 -0.212560D+00  0.629068D+00
               141           142           143           144           145 
      1  -0.212560D+00  0.124986D+01  0.609762D-01 -0.116373D+01  0.321422D-01
      2   0.629068D+00  0.609762D-01  0.111539D+00  0.705798D-01  0.777268D+00
      3   0.141485D+00 -0.116373D+01  0.705798D-01  0.277667D+00  0.706759D+00
               146           147           148           149           150 
      1   0.777268D+00  0.706759D+00  0.149785D+01  0.164511D+00 -0.297292D+00
      2   0.101471D+01  0.804265D+00  0.164511D+00  0.297582D+01  0.271455D+01
      3   0.804265D+00  0.195350D+01 -0.297292D+00  0.271455D+01  0.357160D+01
               151           152           153           154           155 
      1   0.352186D+00  0.455239D-01  0.263693D+00 -0.173196D+02 -0.447198D+01
      2   0.455239D-01  0.207193D+01  0.228566D+01 -0.447198D+01 -0.267982D+01
      3   0.263693D+00  0.228566D+01  0.429785D+01  0.553545D+00 -0.301191D+00
               156           157           158           159           160 
      1   0.553545D+00 -0.733380D+01 -0.526517D+01  0.315029D+00  0.888072D+00
      2  -0.301191D+00 -0.526517D+01 -0.402061D+01  0.350839D+00  0.441100D+00
      3  -0.266028D+01  0.315029D+00  0.350839D+00 -0.127352D+01 -0.233619D+01
               161           162           163           164           165 
      1   0.441100D+00 -0.233619D+01 -0.108925D+02 -0.256105D+01 -0.313870D+01
      2   0.940667D+00 -0.103093D+01 -0.256105D+01 -0.253650D+00  0.572569D-02
      3  -0.103093D+01  0.133947D+01 -0.313870D+01  0.572569D-02 -0.113990D+01
               166           167           168           169           170 
      1  -0.570345D+01 -0.740593D+00 -0.948232D+00 -0.154416D+00  0.124678D+00
      2  -0.740593D+00 -0.799144D+00 -0.164646D+01  0.124678D+00 -0.480979D+00
      3  -0.948232D+00 -0.164646D+01 -0.195854D+01 -0.869844D+00 -0.105391D+01
               171           172           173           174           175 
      1  -0.869844D+00  0.102832D+02  0.224441D+01  0.152685D+01  0.698792D+01
      2  -0.105391D+01  0.224441D+01  0.649098D+00  0.396245D+00  0.933550D+00
      3  -0.704672D+01  0.152685D+01  0.396245D+00  0.274674D+01  0.138517D+01
               176           177           178           179           180 
      1   0.933550D+00  0.138517D+01  0.508861D+01  0.613701D+00  0.234025D+01
      2   0.367982D+00 -0.425520D+00  0.613701D+00 -0.865931D+00  0.569000D+00
      3  -0.425520D+00  0.150392D+01  0.234025D+01  0.569000D+00 -0.740450D+00
               181           182           183           184           185 
      1   0.111912D+02 -0.389861D+00 -0.315871D+00 -0.765486D+01  0.257608D+01
      2  -0.389861D+00  0.107380D+02 -0.198847D+01  0.257608D+01  0.344123D+01
      3  -0.315871D+00 -0.198847D+01  0.188546D+01  0.711448D+00 -0.170298D+01
               186           187           188           189           190 
      1   0.711448D+00  0.124815D+01  0.124703D+00  0.447881D+01  0.323694D+02
      2  -0.170298D+01  0.124703D+00 -0.262335D+01 -0.306406D+01 -0.568005D+01
      3  -0.965707D+00  0.447881D+01 -0.306406D+01  0.756503D+00 -0.331780D+00
               191           192           193           194           195 
      1  -0.568005D+01 -0.331780D+00 -0.198654D+02  0.179074D+01  0.204508D+01
      2   0.504986D+01 -0.178852D+00  0.179074D+01 -0.144203D+02  0.213137D+01
      3  -0.178852D+00  0.276062D+01  0.204508D+01  0.213137D+01 -0.135296D+01
               196           197           198           199           200 
      1   0.236520D+01  0.108436D+01  0.603989D+01 -0.356315D+02  0.878492D+01
      2   0.108436D+01  0.161976D+01 -0.219450D+01  0.878492D+01 -0.858312D+01
      3   0.603989D+01 -0.219450D+01 -0.890879D-01  0.611141D+00  0.138983D+01
               201           202           203           204           205 
      1   0.611141D+00  0.236419D+02 -0.318271D+01 -0.683141D+00 -0.184578D+01
      2   0.138983D+01 -0.318271D+01  0.730372D+01 -0.824062D-01  0.302585D+00
      3  -0.563373D-01 -0.683141D+00 -0.824062D-01  0.203018D+01  0.396588D+00
               206           207           208           209           210 
      1   0.302585D+00  0.396588D+00 -0.651492D+01  0.335969D-01  0.348351D+00
      2   0.643542D+00  0.360770D+01  0.335969D-01 -0.182501D+01  0.301112D+00
      3   0.360770D+01 -0.180503D+01  0.348351D+00  0.301112D+00 -0.250481D-01
               211           212           213           214           215 
      1  -0.690559D+00  0.157926D+01 -0.962423D-01  0.594476D+00 -0.258213D+00
      2   0.157926D+01 -0.206360D+01  0.339451D+00 -0.258213D+00  0.325950D+00
      3  -0.962423D-01  0.339451D+00  0.802653D+00  0.428374D+00 -0.566704D+00
               216           217           218           219           220 
      1   0.428374D+00 -0.183057D+01  0.211657D+01 -0.249571D+00  0.393266D+01
      2  -0.566704D+00  0.211657D+01  0.213350D+01 -0.604343D+00 -0.114900D+01
      3  -0.196714D-01 -0.249571D+00 -0.604343D+00  0.128406D+01 -0.653303D+00
               221           222           223           224           225 
      1  -0.114900D+01 -0.653303D+00 -0.744377D+00 -0.428847D+00 -0.105276D+01
      2   0.209565D+00 -0.167525D+01 -0.428847D+00 -0.157146D+01 -0.328000D+01
      3  -0.167525D+01 -0.506571D+01 -0.105276D+01 -0.328000D+01  0.235496D+01
               226           227           228           229           230 
      1  -0.142583D+01 -0.172369D+01  0.409729D+00 -0.661826D+00 -0.195224D+01
      2  -0.172369D+01 -0.315258D+01  0.628530D+00 -0.195224D+01 -0.842392D+01
      3   0.409729D+00  0.628530D+00 -0.477356D+00  0.391185D+00  0.150041D+01
               231           232           233           234           235 
      1   0.391185D+00  0.256401D+00  0.490484D+00  0.128292D+00  0.475491D+01
      2   0.150041D+01  0.490484D+00  0.164838D+01 -0.535775D+00 -0.373359D+01
      3  -0.113199D+01  0.128292D+00 -0.535775D+00  0.297111D+00  0.378833D+00
               236           237           238           239           240 
      1  -0.373359D+01  0.378833D+00 -0.436072D+01  0.519833D+01 -0.779815D+00
      2   0.391865D+01 -0.397320D+00  0.519833D+01 -0.796078D+01  0.902934D+00
      3  -0.397320D+00  0.555564D+00 -0.779815D+00  0.902934D+00 -0.988036D+00
               241           242           243           244           245 
      1   0.407880D+00 -0.729847D+00 -0.237887D+00  0.324816D+01  0.255374D+01
      2  -0.729847D+00  0.105406D+01 -0.351728D+00  0.255374D+01  0.140925D+01
      3  -0.237887D+00 -0.351728D+00  0.267708D+00 -0.650441D+00 -0.394110D+00
               246           247           248           249           250 
      1  -0.650441D+00  0.373231D+01  0.296008D+01 -0.730964D+00 -0.887748D+00
      2  -0.394110D+00  0.296008D+01  0.509348D+01 -0.103560D+01 -0.703823D+00
      3   0.321799D+00 -0.730964D+00 -0.103560D+01  0.813724D+00  0.258781D+00
               251           252           253           254           255 
      1  -0.703823D+00  0.258781D+00 -0.835228D+00 -0.370031D+00 -0.525717D+00
      2  -0.106113D+01  0.988072D-01 -0.370031D+00 -0.220277D+00  0.885779D-01
      3   0.988072D-01 -0.134177D+00 -0.525717D+00  0.885779D-01 -0.100786D+01
               256           257           258           259           260 
      1   0.550135D+00  0.122968D+01 -0.843694D+00 -0.355533D+01 -0.128038D+01
      2   0.122968D+01  0.140160D+01 -0.143433D+01 -0.128038D+01 -0.143162D+01
      3  -0.843694D+00 -0.143433D+01  0.238293D+01  0.250121D+01  0.208648D+01
               261           262           263           264           265 
      1   0.250121D+01  0.150868D+02 -0.101971D+01 -0.666735D+00 -0.338121D+01
      2   0.208648D+01 -0.101971D+01  0.102091D+01  0.110452D+00  0.140623D+01
      3  -0.622041D+01 -0.666735D+00  0.110452D+00  0.117762D+01  0.235521D+00
               266           267           268           269           270 
      1   0.140623D+01  0.235521D+00 -0.244981D+00  0.992909D-01  0.145401D+01
      2  -0.761207D+00  0.590032D-01  0.992909D-01  0.139226D+00  0.150488D+00
      3   0.590032D-01 -0.163989D+00  0.145401D+01  0.150488D+00 -0.326392D+00
               271           272           273           274           275 
      1  -0.685906D-01  0.116670D+00  0.848168D+00  0.216262D+01  0.242455D+01
      2   0.116670D+00  0.164400D-01  0.329567D-01  0.242455D+01  0.340926D+01
      3   0.848168D+00  0.329567D-01 -0.539666D+00  0.112566D+01  0.211447D+01
               276           277           278           279 
      1   0.112566D+01  0.375255D+01  0.175169D+01  0.160775D+01
      2   0.211447D+01  0.175169D+01  0.227991D+01  0.223477D+01
      3   0.245377D+01  0.160775D+01  0.223477D+01  0.321234D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.331863D+01  0.194142D+01 -0.581087D+00  0.356914D+01 -0.185089D+01
      2   0.732244D+01  0.331963D+01 -0.581407D+00  0.780866D+01 -0.519086D+01
      3   0.872566D+01  0.223892D+02 -0.502743D+01  0.250730D+02 -0.227246D+02
                 6             7             8             9            10 
      1   0.106122D+00 -0.522543D+01  0.866464D+01 -0.147898D+01 -0.529369D+00
      2   0.202336D+01 -0.194464D+02  0.319186D+01  0.231751D+00 -0.429013D+01
      3   0.257566D+01 -0.135890D+01  0.159965D+01  0.249611D+00  0.306598D+02
                11            12            13            14            15 
      1   0.300725D+01 -0.107848D+01 -0.100867D+01  0.868651D+00  0.454024D+00
      2   0.434879D+01 -0.505302D+01 -0.380152D-01 -0.391753D+01  0.925765D+00
      3   0.177158D+02 -0.436409D+01  0.495995D+02 -0.329489D+02  0.325926D+01
                16            17            18            19            20 
      1  -0.525550D+01  0.882654D+01 -0.139893D+01 -0.398003D+01 -0.485514D+00
      2  -0.184063D+02  0.308144D+01  0.859254D+00 -0.843157D+01 -0.280815D+01
      3  -0.719963D+01  0.409431D+01  0.526688D+00 -0.542943D+01 -0.237547D+02
                21            22            23            24            25 
      1   0.408532D+00 -0.224933D+00  0.646779D-01 -0.112329D+01 -0.774724D+01
      2   0.666331D+00  0.115494D+01  0.207509D+01  0.865027D+00 -0.178553D+02
      3   0.509655D+01 -0.370968D+01  0.562911D+01 -0.195948D+01  0.582160D+01
                26            27            28            29            30 
      1   0.422142D+01 -0.108957D+01  0.766798D+00  0.146432D+01  0.397444D+00
      2   0.837246D+01 -0.896576D+00  0.528398D+01  0.149602D+01  0.825922D+00
      3  -0.206792D+01 -0.112575D+01 -0.206804D+02  0.106614D+02 -0.131253D+01
                31            32            33            34            35 
      1   0.468059D+01  0.359860D+01  0.634345D+00  0.396877D+01  0.124384D+02
      2   0.582245D+00  0.233445D-01  0.553928D+00 -0.107623D+02  0.780904D+00
      3   0.272412D+02 -0.251676D+01 -0.146888D+01 -0.268618D+01 -0.240715D+01
                36            37            38            39            40 
      1  -0.182983D+01  0.223603D+00 -0.272143D+00  0.447100D+01  0.153366D+01
      2   0.101277D+01 -0.258673D+01 -0.565769D+00  0.443314D+00 -0.262748D+01
      3  -0.247928D+01 -0.825854D+01 -0.132030D+01 -0.169854D+00  0.116371D+02
                41            42            43            44            45 
      1  -0.888929D+00 -0.232757D+01  0.163382D+02  0.135042D+01 -0.345485D+00
      2  -0.277676D+01 -0.148108D+01 -0.109010D+02 -0.643420D+01  0.242648D+01
      3  -0.632251D+01  0.137226D+00 -0.270299D+01  0.130034D+01 -0.548176D+01
                46            47            48            49            50 
      1  -0.828897D+00 -0.186165D+01 -0.435286D+01 -0.241727D+01  0.665585D+00
      2   0.236977D+01 -0.349495D+01  0.196349D+01 -0.438286D+01  0.501425D+01
      3   0.205927D+02 -0.234692D+02  0.373405D+01 -0.590762D+01  0.232753D+02
                51            52            53            54            55 
      1  -0.218446D+01 -0.115441D+02 -0.234130D+01  0.290410D+01  0.142238D+01
      2  -0.916094D+00 -0.149915D+02  0.205439D+01  0.102556D+01  0.583595D+01
      3  -0.291393D+01  0.355831D+01 -0.240416D+01  0.522080D+01  0.306065D+02
                56            57            58            59            60 
      1  -0.355459D+01 -0.412573D+01 -0.245009D+01  0.129270D+01 -0.161518D+01
      2  -0.345105D+01 -0.281125D+01 -0.550123D+01  0.367377D+01 -0.208791D+01
      3  -0.116364D+02  0.211490D+01 -0.531193D+01  0.237147D+02 -0.133149D+01
                61            62            63            64            65 
      1  -0.118690D+02 -0.192826D+01  0.196501D+01 -0.238505D+00 -0.542501D+00
      2  -0.202365D+02 -0.174360D+01  0.502338D+01  0.112102D+01  0.715536D+00
      3   0.473620D+01 -0.927729D+00  0.126446D+02  0.180129D+01 -0.250763D+00
                66            67            68            69            70 
      1  -0.164282D+01 -0.727646D+00 -0.146760D+01 -0.279120D+01 -0.703905D+00
      2   0.543409D+00  0.116941D+01 -0.671539D-01  0.184080D+01 -0.227202D+01
      3  -0.593503D-02  0.340173D+01 -0.507528D+01  0.846599D+00 -0.342326D+00
                71            72            73            74            75 
      1   0.221401D+01  0.409553D+00 -0.248216D+00  0.167431D+00  0.216565D+01
      2  -0.841132D+00  0.818160D-02 -0.684839D+00 -0.126560D+00  0.132013D+01
      3   0.909813D+00  0.560813D+00 -0.806197D+01  0.145326D+01 -0.826085D-02
                76            77            78            79            80 
      1  -0.109467D+01  0.782643D+00 -0.405159D+01 -0.285111D+01  0.158084D+01
      2  -0.384604D+00  0.664474D+00 -0.229268D+01 -0.167391D+01 -0.862643D-01
      3   0.405401D+01  0.148214D+01  0.373410D+00  0.419959D+00 -0.437019D+00
                81            82            83            84            85 
      1   0.495379D+00  0.795108D+00  0.510983D+00 -0.207470D+01  0.710199D+00
      2   0.489742D+00  0.983020D+00  0.439460D+00  0.102470D+01  0.729571D+00
      3   0.116763D+01  0.690197D+01  0.296784D+01 -0.115108D+01  0.532578D+01
                86            87            88            89            90 
      1   0.130721D+01 -0.456036D+01  0.122024D+01  0.187178D+01  0.458269D+00
      2   0.649682D+00  0.144140D+01 -0.922521D+00  0.443668D+00 -0.590120D+00
      3   0.352655D+01 -0.115360D+01 -0.131834D+01 -0.127028D+01 -0.602155D+00
                91            92            93            94            95 
      1   0.255921D+01  0.874547D+00 -0.168490D+01  0.482652D+01 -0.511271D+00
      2  -0.617887D+01 -0.181871D+01 -0.599185D+01 -0.238095D+01 -0.806759D+01
      3   0.104937D+02 -0.526317D+00  0.238403D+01  0.189052D+02 -0.179951D+02
                96            97            98            99           100 
      1  -0.223317D+01 -0.264414D+01  0.502237D+01  0.119376D+01  0.140934D+01
      2  -0.257119D+01 -0.320943D+02 -0.547770D-01  0.383106D+01 -0.113285D+02
      3   0.729306D+01  0.308468D+00  0.104265D+02  0.769710D+01  0.809831D+00
               101           102           103           104           105 
      1  -0.586865D+01  0.495221D+00 -0.262792D+01  0.414191D+01 -0.107750D+02
      2   0.197902D+01  0.165938D+02 -0.501565D+00  0.177923D+02  0.595385D+01
      3  -0.132127D+02 -0.110648D+01 -0.831673D+01  0.816625D+01 -0.147164D+02
               106           107           108           109           110 
      1   0.287566D+01 -0.542235D+01 -0.500925D+01 -0.381598D+01  0.109797D+01
      2   0.159954D+02  0.274166D+01 -0.438406D+01  0.120129D+02  0.449600D+01
      3   0.490799D+01 -0.138552D+02 -0.708146D+01 -0.589778D+01  0.952636D+01
               111           112           113           114           115 
      1   0.921557D+01 -0.906904D+01 -0.664173D+01 -0.797247D+01  0.859045D+01
      2   0.244063D+01  0.622548D+01  0.385356D+01 -0.902577D+01  0.617758D+01
      3  -0.668070D+01  0.949939D+01  0.167446D+02 -0.217673D+01 -0.131412D+02
               116           117           118           119           120 
      1  -0.752129D-01  0.560391D+01  0.119475D+01 -0.942199D+00  0.103982D+01
      2  -0.241344D+01  0.250613D+01  0.274522D+01 -0.871267D+00  0.481194D+01
      3  -0.582967D+01 -0.397833D+01  0.871057D+01 -0.601763D+01 -0.290369D+00
               121           122           123           124           125 
      1  -0.123245D+01  0.227391D+01 -0.304843D+01  0.912573D+00 -0.347848D+00
      2  -0.156085D+01  0.448619D+01 -0.508835D+01  0.285032D+01 -0.338242D+01
      3  -0.643405D+00  0.202989D+02 -0.358658D+01 -0.114476D+01 -0.505873D+01
               126           127           128           129           130 
      1   0.625417D+00 -0.246280D+01  0.267489D+01 -0.492656D+00  0.105339D+01
      2   0.183570D+01 -0.285419D+01  0.286949D+01 -0.440370D+01  0.279428D+01
      3   0.230612D+01 -0.461654D+01  0.380550D+01 -0.123356D+01  0.338246D+01
               131           132           133           134           135 
      1  -0.106313D+02  0.326695D+01  0.645938D-01  0.486061D+01 -0.262525D+01
      2  -0.969865D+01  0.914296D+01 -0.219180D+01  0.438527D+01 -0.691603D+01
      3  -0.166253D+02  0.883319D+01  0.449981D+00  0.567700D+01 -0.485602D+01
               136           137           138           139           140 
      1  -0.138351D+01 -0.260619D+01  0.810103D+00 -0.212916D+01 -0.772825D+00
      2   0.108660D+02  0.106759D-01  0.745200D+01  0.147705D+00 -0.669488D+00
      3  -0.449121D+01 -0.608710D+01  0.617292D+00 -0.334655D+01 -0.811629D+00
               141           142           143           144           145 
      1   0.237974D+00 -0.717624D-02  0.124571D+01 -0.307413D-01  0.169424D+01
      2  -0.236280D-01  0.124523D+01  0.459501D+00  0.127538D+01 -0.485545D+01
      3   0.217866D+01 -0.554095D+00  0.242166D+01 -0.613839D+00  0.353087D+01
               146           147           148           149           150 
      1   0.302118D+01  0.195942D+00  0.180053D+01  0.578330D+01  0.213849D+01
      2  -0.454116D+01 -0.810325D+01 -0.283156D+01 -0.114005D+02 -0.130855D+02
      3   0.440424D+01  0.306921D+01  0.374790D+01  0.108088D+02  0.963201D+01
               151           152           153           154           155 
      1  -0.148777D+00  0.493723D+01  0.235380D+01  0.376877D+01  0.824968D+00
      2  -0.438335D+01 -0.918864D+01 -0.164910D+02 -0.111431D+02 -0.141996D+01
      3   0.218232D+00  0.753171D+01  0.852260D+01 -0.826934D+01 -0.212935D+02
               156           157           158           159           160 
      1  -0.583703D+01  0.654183D+01  0.429497D+01 -0.340229D+01 -0.338253D+01
      2   0.200761D+02 -0.120032D+01 -0.445629D+01  0.110371D+02  0.643558D+01
      3  -0.217729D+00 -0.172424D+02 -0.228349D+02  0.689364D+00  0.317985D+01
               161           162           163           164           165 
      1   0.150796D+01  0.136456D+01  0.530669D+01  0.247398D+01 -0.253166D+01
      2   0.368172D+01 -0.848366D+01 -0.108937D+02 -0.461099D+01  0.232989D+01
      3   0.375840D+01 -0.272439D+01 -0.734756D+01 -0.381696D+01  0.955448D+00
               166           167           168           169           170 
      1   0.716444D+01  0.421934D+01  0.213286D+01 -0.596906D+00  0.703013D+01
      2  -0.851737D+01  0.479028D+01  0.776465D+01 -0.337847D+01  0.322216D+01
      3  -0.246697D+00 -0.436644D+01 -0.851984D+01  0.404774D+01 -0.230899D+01
               171           172           173           174           175 
      1  -0.258630D+01 -0.718254D+01 -0.323459D+01  0.337591D+00 -0.842869D+01
      2   0.226661D+02  0.201174D+02  0.355316D+01 -0.681311D+01  0.792471D+01
      3  -0.356459D+01  0.291342D+01  0.251617D+01  0.206269D+01  0.812770D+01
               176           177           178           179           180 
      1  -0.271819D+01 -0.181577D+01 -0.371117D+00 -0.115604D+00 -0.885736D+00
      2   0.338077D+01 -0.405301D+01 -0.326544D+01 -0.103800D+01  0.468011D+01
      3   0.107619D+01  0.657848D+00  0.226104D+01  0.794771D+00  0.106060D+01
               181           182           183           184           185 
      1  -0.423333D+00  0.199085D+01  0.425671D+01  0.274177D+01 -0.799894D+00
      2  -0.667261D+01 -0.247194D+01  0.574804D+01 -0.930423D+00 -0.745056D+01
      3  -0.278658D+02 -0.145731D+02  0.311292D+01 -0.987968D+01 -0.253279D+02
               186           187           188           189           190 
      1  -0.229006D+01  0.152378D+02  0.370177D+01 -0.230746D+01 -0.111505D+01
      2  -0.791594D+00 -0.215958D+01 -0.101793D+02  0.105914D+01 -0.423436D+01
      3   0.547945D+01  0.287157D+01  0.701603D+01 -0.276369D+01  0.903740D+01
               191           192           193           194           195 
      1   0.318146D+01 -0.424754D+00  0.281213D+01  0.183733D+01  0.268782D+01
      2   0.419837D+01 -0.122445D+01  0.114435D+02  0.216778D+01 -0.277876D+01
      3   0.205312D+02 -0.388160D+01  0.430570D+02  0.198230D+02 -0.543598D+01
               196           197           198           199           200 
      1  -0.303218D+01  0.135449D+02 -0.294168D+01 -0.211057D+00 -0.209309D+01
      2  -0.856690D+00 -0.538452D+01  0.117119D+01  0.719565D+00 -0.168238D+01
      3  -0.810794D+01 -0.404243D+01  0.601232D+01 -0.262665D+02 -0.106400D+02
               201           202           203           204           205 
      1   0.323493D+00 -0.181407D+01  0.137801D+01 -0.296622D+01 -0.427542D+01
      2   0.397937D+01 -0.722844D+01  0.396750D+01  0.347554D+01 -0.165428D+02
      3   0.246505D+01 -0.171809D+00 -0.142033D+01 -0.173335D+01  0.461320D+01
               206           207           208           209           210 
      1   0.397942D+01  0.183552D+00  0.114135D+01 -0.280866D+01  0.731979D+00
      2   0.153148D+02 -0.429930D+01  0.363274D+01 -0.485822D+01  0.123680D+02
      3  -0.375233D+01 -0.765927D+01  0.964053D+01 -0.377109D+02  0.413484D+01
               211           212           213           214           215 
      1   0.461082D+00 -0.770050D+00 -0.541790D+01  0.252107D+01 -0.968916D+00
      2  -0.180332D+00  0.227977D+01  0.521810D+01 -0.499705D+01 -0.354302D+01
      3   0.866978D+00  0.119157D+02 -0.267501D+01  0.114973D+00  0.148561D+01
               216           217           218           219           220 
      1   0.101015D+01 -0.137440D+01  0.416407D+00 -0.983113D+00  0.231623D+01
      2  -0.623394D+00 -0.600302D+01 -0.138043D+01  0.721831D+01 -0.334593D+01
      3   0.153268D+01 -0.331816D+02 -0.291531D+01  0.364580D+01  0.636185D+01
               221           222           223           224           225 
      1   0.339502D+01  0.515838D+01  0.965909D+01  0.635820D+01 -0.147529D+01
      2  -0.672170D+01 -0.307759D+02 -0.628072D+01 -0.198998D+02  0.147735D+02
      3   0.175335D+02  0.710985D+01  0.384648D+01  0.559587D+01  0.250428D+02
               226           227           228           229           230 
      1   0.252584D+00 -0.298154D+00 -0.196778D+01  0.653653D-01 -0.809446D+00
      2   0.195898D+01  0.174707D+01 -0.103732D+00  0.142327D+01  0.356219D+01
      3   0.909004D+01  0.749407D+01 -0.197808D+01  0.696720D+01  0.174839D+02
               231           232           233           234           235 
      1  -0.415079D+01  0.145531D+01  0.193922D+01  0.374105D+00 -0.719952D+00
      2  -0.623914D+00 -0.328904D+00 -0.109008D+01 -0.135207D-01 -0.841085D+00
      3  -0.357785D+01 -0.213856D+01 -0.379273D+01  0.122518D+00 -0.304579D+00
               236           237           238           239           240 
      1   0.801798D+00  0.217112D+01 -0.172105D+00 -0.897808D+00 -0.373981D+01
      2   0.151614D-01  0.255218D+01 -0.100436D+01  0.108392D+01 -0.394338D+01
      3  -0.545316D+01  0.536253D+00 -0.551812D+01  0.157559D+02 -0.123476D+01
               241           242           243           244           245 
      1  -0.273891D+01  0.123793D+01  0.567575D+00  0.284198D+00 -0.317981D-01
      2  -0.229257D+01 -0.112770D+01  0.123227D+01 -0.565109D+00 -0.816147D+00
      3   0.179542D+01 -0.202619D+01  0.184309D+01 -0.463699D+00 -0.250941D+01
               246           247           248           249           250 
      1  -0.107755D+01  0.208245D+00 -0.275038D+00 -0.265663D+01 -0.431988D+00
      2   0.107858D+01 -0.849662D+00 -0.276302D+01  0.292353D+01 -0.102993D+01
      3   0.458541D+00 -0.813874D+00 -0.132991D+02  0.236285D+01  0.500760D+00
               251           252           253           254           255 
      1   0.143973D+01  0.365928D+00 -0.185297D+00  0.652515D+00  0.137925D+01
      2  -0.840318D+00 -0.109739D+00 -0.541180D+01  0.806541D+00 -0.529644D+01
      3   0.284395D+01  0.323122D+00  0.869966D+00  0.306777D+01 -0.227439D+01
               256           257           258           259           260 
      1  -0.244988D+00 -0.297323D+00 -0.209906D+01 -0.192409D+01  0.143772D+01
      2  -0.349458D+01 -0.778728D+01  0.135286D+02  0.769831D+01  0.120035D+02
      3  -0.415342D+01 -0.119210D+02  0.951498D+01  0.441537D+01  0.108094D+02
               261           262           263           264           265 
      1   0.495944D+01  0.655221D+00 -0.584430D+00 -0.445630D+00 -0.545353D+00
      2  -0.340768D+02  0.110225D+01  0.668073D-01  0.894392D+01  0.352337D+00
      3  -0.160012D+02  0.143433D+02 -0.101517D+02 -0.849013D+00 -0.807793D+01
               266           267           268           269           270 
      1   0.135231D+00 -0.735060D+00 -0.115003D+01  0.146321D+00  0.162166D+00
      2   0.808921D+00 -0.117586D+01  0.681896D+01  0.912499D+00 -0.161565D+01
      3   0.546947D+01 -0.468271D+00 -0.865527D+00 -0.746325D+00 -0.974107D+00
               271           272           273           274           275 
      1  -0.939215D-01  0.821794D-01  0.901331D+00 -0.138312D+01 -0.258495D+01
      2   0.598880D+01  0.734155D+00 -0.233013D+01  0.520438D+01  0.106936D+02
      3  -0.178526D+01  0.174527D+01  0.284889D+00 -0.934383D+01 -0.243266D+02
               276           277           278           279 
      1  -0.452834D+01 -0.275161D+01 -0.129653D+01 -0.511354D+01
      2   0.140201D+02  0.548377D+01  0.124137D+02  0.173068D+02
      3  -0.129059D+02 -0.650669D+01 -0.153382D+02 -0.149272D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.746058D+02  0.439451D+02 -0.435596D+01 -0.728175D+02  0.312375D+01
      2   0.376107D+02 -0.297283D+02  0.339670D+01  0.373793D+02  0.612252D+01
      3   0.369951D+02 -0.142168D+02  0.959260D+00  0.354381D+02 -0.924627D+01
      4   0.246379D+02  0.943528D+01 -0.304692D+01  0.100219D+02 -0.206825D+02
      5  -0.760085D+01 -0.352120D+01  0.486668D+00 -0.537622D+01  0.679962D+01
      6   0.275405D+01  0.137051D+01  0.113082D+01  0.426013D+01 -0.536281D+01
                 6             7             8             9            10 
      1   0.247611D+01  0.180115D+02 -0.522505D+01 -0.100752D+02  0.110281D+03
      2  -0.408268D+01 -0.813011D+01  0.167773D+01 -0.132650D+01 -0.518423D+02
      3   0.160657D+01 -0.988144D+01  0.354732D+01  0.114017D+02 -0.584388D+02
      4   0.363920D+01 -0.330495D+01  0.313382D+01 -0.640407D+00  0.100133D+02
      5   0.236156D+01  0.162961D+01 -0.103638D+01  0.432388D+00 -0.143713D+00
      6   0.448430D+00  0.152499D+01  0.345528D+01  0.147291D+01 -0.748862D+01
                11            12            13            14            15 
      1  -0.661574D+00 -0.814547D+01  0.583426D+02 -0.348482D+02  0.207955D+01
      2  -0.396576D+01  0.417849D+01 -0.215952D+02  0.242955D+02 -0.414702D+01
      3   0.462733D+01  0.396698D+01 -0.367474D+02  0.105527D+02  0.206747D+01
      4   0.142896D+02 -0.485415D+01 -0.302979D+02  0.162736D+02 -0.628643D+00
      5  -0.718522D+01 -0.813127D+01  0.971353D+01 -0.233604D+01  0.251257D+00
      6   0.424687D+01  0.110082D+01 -0.393222D+01 -0.642846D+00 -0.723317D+00
                16            17            18            19            20 
      1  -0.181554D+02  0.578726D+01 -0.407333D+01  0.394468D+02 -0.474686D+02
      2   0.776400D+01 -0.409474D+01 -0.327266D+01 -0.190605D+02  0.350982D+02
      3   0.103914D+02 -0.169252D+01  0.734599D+01 -0.203862D+02  0.123703D+02
      4   0.597822D+01 -0.289446D+01  0.366858D+01 -0.268471D+02 -0.109679D+02
      5   0.134854D+01  0.270649D+01  0.855914D+00  0.100367D+02  0.388924D+01
      6   0.456655D+01  0.297221D+01  0.184109D+01 -0.263907D+01 -0.523448D+00
                21            22            23            24            25 
      1   0.596865D+01  0.770834D+01  0.321630D+02 -0.545767D+01 -0.446415D+01
      2  -0.464706D+01 -0.206378D+02 -0.317037D+02  0.636797D+01  0.686901D+01
      3  -0.132159D+01  0.129295D+02 -0.459267D+00 -0.910302D+00 -0.240486D+01
      4   0.308452D+01  0.165295D+02 -0.240800D+01  0.267342D+01 -0.113557D+01
      5  -0.294149D+01 -0.671947D+01  0.325516D+01  0.642344D+01  0.465651D+01
      6   0.857639D+00  0.913597D+01  0.548350D+01  0.144527D+01  0.286219D+01
                26            27            28            29            30 
      1  -0.131482D+01 -0.765269D+01  0.984628D+01 -0.116542D+01  0.299093D+01
      2   0.553242D+01 -0.654256D+01 -0.232024D+02 -0.191465D+01 -0.172840D+01
      3  -0.421760D+01  0.141953D+02  0.133561D+02  0.308007D+01 -0.126253D+01
      4   0.506543D+01  0.443387D+01 -0.625088D+00  0.130365D+02  0.422338D+00
      5   0.934115D+01 -0.221559D+01 -0.105964D+02  0.226592D+01  0.911182D+01
      6   0.490760D+01 -0.566555D+00  0.102974D+02 -0.155234D+01 -0.242626D+01
                31            32            33            34            35 
      1   0.155805D+02 -0.642267D+02  0.884670D+01 -0.663739D+00  0.104764D+02
      2  -0.475176D+01  0.601410D+02 -0.124326D+02 -0.271808D+01 -0.114966D+02
      3  -0.108287D+02  0.408577D+01  0.358586D+01  0.338181D+01  0.102027D+01
      4  -0.392962D+02 -0.105208D+02  0.474665D+01  0.152254D+02  0.297450D+01
      5   0.129551D+02  0.507521D+01 -0.776739D+00  0.322350D+02 -0.603962D+01
      6  -0.101334D+01 -0.571642D+01 -0.140560D+01 -0.627972D+01  0.599842D+01
                36            37            38            39            40 
      1  -0.375782D-02 -0.504822D+01  0.670733D+02 -0.128531D+02 -0.189579D+02
      2  -0.858383D+01 -0.110125D+01 -0.532190D+02  0.828690D+01  0.200796D+02
      3   0.858759D+01  0.614947D+01 -0.138543D+02  0.456617D+01 -0.112176D+01
      4  -0.110927D+00  0.213887D+02 -0.116846D+02 -0.519384D+00  0.190403D+02
      5   0.430895D+00 -0.397343D+01 -0.385079D+01  0.197662D+01  0.242364D+01
      6   0.529127D+01 -0.363216D+01  0.438635D+01 -0.854622D+01 -0.103994D+02
                41            42            43            44            45 
      1   0.261414D+02 -0.799838D+01  0.547410D+01 -0.135316D+02 -0.132973D+02
      2  -0.297548D+02  0.756791D+01 -0.948661D+01  0.151131D+02  0.369757D+01
      3   0.361336D+01  0.430469D+00  0.401251D+01 -0.158146D+01  0.959969D+01
      4   0.153887D+02 -0.709933D+01 -0.121838D+01 -0.503909D+01 -0.767424D+01
      5  -0.831583D+01 -0.593698D+01  0.177061D+02 -0.787948D+01  0.423819D+01
      6   0.875152D+01  0.474480D+01 -0.192920D+02  0.166099D+02  0.247968D+00
                46            47            48            49            50 
      1   0.421769D+01 -0.545842D+02  0.806899D+01  0.204891D+02  0.855854D+01
      2  -0.285525D+01  0.438437D+02 -0.415533D+01 -0.191130D+02 -0.128047D+02
      3  -0.136244D+01  0.107404D+02 -0.391366D+01 -0.137617D+01  0.424614D+01
      4  -0.178964D+02 -0.829389D+01  0.398487D+01  0.129236D+02 -0.954883D+01
      5   0.551253D+01  0.612615D+01  0.188690D-01 -0.248109D+01  0.180354D+01
      6   0.376404D+01 -0.157252D+00  0.756539D+01  0.318167D+01  0.101160D+02
                51            52            53            54            55 
      1  -0.704762D+01 -0.438920D+01 -0.237633D+01 -0.205356D+02 -0.270514D+02
      2   0.772704D+01  0.648059D+01  0.901329D+01  0.900310D+01  0.108621D+02
      3  -0.679419D+00 -0.209140D+01 -0.663696D+01  0.115325D+02  0.161893D+02
      4   0.305614D+01  0.140449D+01  0.617620D+01  0.714955D+01  0.503425D+00
      5   0.821392D+00  0.529626D+01  0.319948D+01 -0.557051D+00 -0.169888D+01
      6   0.388253D+01  0.618263D+01  0.208783D+02 -0.517301D+01  0.338549D+01
                56            57            58            59            60 
      1  -0.411379D+02  0.718776D+01  0.116645D+02  0.171497D+02 -0.891302D+01
      2   0.357095D+02 -0.312669D+01 -0.109886D+02 -0.178034D+02  0.827519D+01
      3   0.542840D+01 -0.406107D+01 -0.675947D+00  0.653718D+00  0.637826D+00
      4  -0.463823D+02  0.773645D+01  0.128514D+02 -0.445097D+01 -0.737756D+00
      5   0.110253D+02 -0.783367D+01 -0.263817D+01 -0.227387D+01 -0.116637D+01
      6  -0.330215D+01  0.819526D+01  0.300622D+01  0.948692D+01  0.265793D+01
                61            62            63            64            65 
      1  -0.192697D+01 -0.546790D+01 -0.264583D+02  0.314916D+01 -0.122565D+01
      2   0.555620D+01  0.114249D+02  0.961787D+01 -0.373608D+00  0.252725D+01
      3  -0.362923D+01 -0.595701D+01  0.168404D+02 -0.277555D+01 -0.130160D+01
      4  -0.254325D+01  0.316214D+01 -0.448266D+01  0.930047D+01  0.999117D+01
      5  -0.246350D+01 -0.923642D+01  0.579429D+01 -0.270451D+01 -0.210350D+01
      6   0.722387D+01  0.185324D+02 -0.613003D+01 -0.172424D+01 -0.162561D+01
                66            67            68            69            70 
      1   0.329203D+00 -0.344264D+01 -0.136300D+02  0.320030D+01  0.211330D+00
      2   0.207693D+00  0.567966D+01  0.165055D+02 -0.141146D+01  0.582678D-02
      3  -0.536897D+00 -0.223701D+01 -0.287550D+01 -0.178885D+01 -0.217157D+00
      4  -0.161610D+01  0.132837D+02  0.177916D+02 -0.319803D+01 -0.260794D+01
      5   0.283193D+01 -0.336653D+01 -0.341280D+01  0.363193D+01  0.166568D+01
      6   0.155000D+01 -0.299230D+01 -0.595449D+01  0.508344D+01  0.203427D+01
                71            72            73            74            75 
      1   0.200248D+01 -0.251270D+01 -0.717905D+00  0.685360D+01 -0.859563D+00
      2  -0.199402D+01  0.224485D+01  0.983346D+01 -0.157118D+02  0.137594D+01
      3  -0.845982D-02  0.267852D+00 -0.911556D+01  0.885816D+01 -0.516377D+00
      4  -0.351893D+01  0.217835D+01 -0.214150D+02  0.214028D+02 -0.227353D+01
      5   0.618004D+00 -0.132164D+01  0.180089D+01 -0.230391D+01  0.297525D+01
      6   0.271943D+01 -0.195971D+01 -0.110084D+01  0.151881D+01 -0.290103D+01
                76            77            78            79            80 
      1   0.113730D+02 -0.280976D+02  0.336691D+01 -0.217608D+01  0.417800D+01
      2  -0.220885D+02  0.456004D+02 -0.412614D+01  0.395618D+01 -0.608629D+01
      3   0.107155D+02 -0.175027D+02  0.759235D+00 -0.178010D+01  0.190830D+01
      4   0.235519D+02 -0.322729D+02  0.357540D+01 -0.304100D+01  0.391833D+01
      5  -0.312503D+01  0.396307D+01 -0.361167D+01  0.155854D+00 -0.181878D+01
      6   0.357377D+01 -0.503957D+01  0.681847D+01  0.138720D+01  0.274883D+01
                81            82            83            84            85 
      1  -0.124553D+01 -0.537181D+01 -0.101363D+02  0.237779D+01 -0.917072D+01
      2   0.229586D+01  0.956916D+01  0.164692D+02 -0.258323D+01  0.134499D+02
      3  -0.105033D+01 -0.419735D+01 -0.633291D+01  0.205440D+00 -0.427915D+01
      4  -0.241377D+01  0.114490D+02  0.184074D+02 -0.323708D+01  0.124018D+02
      5   0.104403D+01 -0.131954D+01 -0.183368D+01  0.288507D+01 -0.139561D+01
      6  -0.180151D+01 -0.249088D+01 -0.380279D+01  0.351754D+01 -0.288411D+01
                86            87            88            89            90 
      1  -0.389799D+02  0.749236D+01  0.195637D+01  0.787232D+01 -0.230876D+01
      2   0.553473D+02 -0.828185D+01 -0.295746D+01 -0.100063D+02  0.269540D+01
      3  -0.163674D+02  0.789487D+00  0.100109D+01  0.213396D+01 -0.386647D+00
      4   0.261058D+02 -0.430022D+01 -0.308246D+01 -0.490545D+01  0.292334D+01
      5  -0.190799D+01  0.225451D+01  0.928377D+00  0.249956D+01 -0.135596D+01
      6  -0.104138D+02  0.869513D+01  0.595413D+00  0.463912D+01 -0.274940D+01
                91            92            93            94            95 
      1  -0.212241D+01  0.211661D+01 -0.127290D+02 -0.415947D+01 -0.158546D+01
      2   0.788542D+01  0.210116D+01  0.108774D+01  0.997776D+01 -0.104685D+02
      3  -0.576302D+01 -0.421777D+01  0.116412D+02 -0.581829D+01  0.120540D+02
      4  -0.353458D+01 -0.137174D+02 -0.336846D+01 -0.146589D+02  0.354160D+02
      5  -0.148158D+01 -0.430938D+01 -0.199677D+02  0.151214D+01 -0.126324D+02
      6  -0.357901D+01  0.141117D+01  0.104296D+01 -0.316613D+01  0.314606D+01
                96            97            98            99           100 
      1  -0.217650D+01 -0.651482D+00 -0.392482D+01 -0.198813D+02 -0.709796D+02
      2   0.164735D+01 -0.119432D+02  0.834357D+01  0.188581D+02  0.395256D+02
      3   0.529157D+00  0.125947D+02 -0.441875D+01  0.102322D+01  0.314540D+02
      4  -0.144910D+02 -0.600231D+01 -0.158418D+02 -0.380378D+01  0.111011D+02
      5  -0.524659D+01 -0.565374D+02  0.127768D+01  0.156681D+02  0.369733D+02
      6   0.346576D+01  0.270248D+01 -0.343691D+00 -0.126160D+01 -0.354767D+01
               101           102           103           104           105 
      1   0.744762D+01  0.273396D+02  0.394303D+01  0.290955D+02  0.834170D+01
      2  -0.331580D+01 -0.688678D+01 -0.530573D+01 -0.495769D+01  0.483959D+00
      3  -0.413182D+01 -0.204529D+02  0.136270D+01 -0.241378D+02 -0.882566D+01
      4   0.171546D+02  0.132440D+01  0.159870D+02 -0.144414D+02  0.225958D+02
      5   0.852937D+00  0.110571D+02 -0.272931D+00  0.149523D+02  0.734272D+01
      6  -0.110072D+02 -0.330447D+01 -0.626774D+01  0.385108D+01 -0.187729D+02
               106           107           108           109           110 
      1   0.376413D+01  0.803005D+01  0.197459D+02 -0.766573D+02 -0.236630D+02
      2   0.151373D+02 -0.323378D+01 -0.214889D+02  0.295530D+02  0.355772D+01
      3  -0.189015D+02 -0.479628D+01  0.174298D+01  0.471043D+02  0.201052D+02
      4   0.180108D+01  0.190320D+02  0.421069D+01 -0.402766D+02 -0.243474D+02
      5   0.374131D+02  0.163702D+01 -0.284450D+02  0.393438D+01 -0.149378D+01
      6  -0.351670D+01 -0.135954D+02 -0.687896D+01 -0.677524D+00  0.229304D+01
               111           112           113           114           115 
      1   0.327574D+01 -0.332011D+02 -0.150142D+02  0.872327D+01  0.317976D+02
      2  -0.292668D+01  0.774216D+01  0.539473D+01 -0.895300D+00 -0.141331D+02
      3  -0.349060D+00  0.254590D+02  0.961943D+01 -0.782797D+01 -0.176645D+02
      4   0.141091D+01 -0.118782D+02 -0.230650D+02  0.842598D+01  0.128553D+02
      5  -0.256184D+01 -0.190548D+01  0.604475D+01 -0.533134D+01  0.206108D+02
      6  -0.409657D+01  0.294380D+01 -0.371020D+01  0.213063D+00  0.334175D+01
               116           117           118           119           120 
      1   0.608383D+01  0.219861D+02  0.672005D+01 -0.904944D+01  0.485716D+01
      2  -0.225187D+01 -0.228450D+01  0.301609D+01  0.205814D+00 -0.131810D+01
      3  -0.383195D+01 -0.197016D+02 -0.973613D+01  0.884363D+01 -0.353906D+01
      4   0.137495D+02  0.440869D+01 -0.199023D+02  0.200476D+02 -0.831428D+00
      5   0.283566D+01  0.206267D+01  0.560547D+01 -0.395779D+00  0.963854D+01
      6  -0.157860D+01 -0.124871D+01 -0.148678D+01  0.610789D+00 -0.979812D+00
               121           122           123           124           125 
      1  -0.166406D+02 -0.214875D+01 -0.373659D+00  0.647622D+01  0.165566D+01
      2   0.303409D+01  0.192807D+02 -0.295053D+01 -0.235277D+01 -0.466024D+01
      3   0.136065D+02 -0.171320D+02  0.332419D+01 -0.412345D+01  0.300458D+01
      4   0.223274D+02 -0.478104D+02  0.756366D+01 -0.283346D+01  0.111369D+02
      5  -0.194808D+01  0.682428D+01 -0.103647D+02  0.114680D+02 -0.777511D+01
      6   0.599007D+00 -0.256603D+01  0.441475D+01 -0.239899D+01  0.599955D+01
               126           127           128           129           130 
      1   0.261663D+01  0.413504D+00  0.634020D+01 -0.849314D+01  0.104327D+02
      2  -0.633359D+00 -0.208428D+00 -0.288556D+01  0.755726D-01 -0.703279D+01
      3  -0.198327D+01 -0.205075D+00 -0.345463D+01  0.841757D+01 -0.339988D+01
      4  -0.843718D+01  0.339909D+01 -0.470413D+01  0.155099D+01  0.143327D+01
      5   0.347353D+01 -0.127624D+01 -0.864912D+00 -0.446304D+01 -0.952803D+01
      6  -0.241244D+01 -0.301876D+01  0.460282D+01 -0.174610D+01  0.390789D+00
               131           132           133           134           135 
      1  -0.154850D+02  0.871393D+01 -0.360776D+01  0.511747D+01 -0.111896D+02
      2   0.571135D+01  0.390062D+01  0.983976D+00  0.174578D+01 -0.125637D+01
      3   0.977362D+01 -0.126146D+02  0.262378D+01 -0.686324D+01  0.124460D+02
      4   0.281215D+02 -0.151594D+02 -0.102430D+01 -0.102604D+02  0.827819D+01
      5  -0.114135D+02  0.167914D+02  0.163135D+01  0.670337D+01 -0.868335D+01
      6  -0.191811D+02  0.130515D+02  0.578618D+00  0.103154D+02 -0.692870D+01
               136           137           138           139           140 
      1   0.108136D+03 -0.565303D+01 -0.189544D+02 -0.375613D+01  0.616223D+01
      2  -0.644216D+02  0.248578D+01  0.178917D+02  0.963924D+00 -0.399594D+01
      3  -0.437147D+02  0.316726D+01  0.106266D+01  0.279221D+01 -0.216630D+01
      4  -0.128359D+02  0.120070D+02  0.352988D+01  0.138394D+02 -0.100530D+01
      5  -0.610215D+02  0.393090D+01  0.292967D+02  0.208970D+01 -0.649880D+01
      6   0.501034D+01 -0.425582D+01 -0.217460D+01 -0.433671D+01  0.162616D+00
               141           142           143           144           145 
      1  -0.204653D+00 -0.769885D+01 -0.100319D+01  0.831203D+01 -0.210205D+01
      2  -0.568693D-01  0.823213D+01 -0.151026D-01 -0.667321D+01 -0.186211D+00
      3   0.261522D+00 -0.533276D+00  0.101829D+01 -0.163882D+01  0.228827D+01
      4  -0.519301D+01  0.183510D+00 -0.299784D+01 -0.817315D+00 -0.333355D+01
      5  -0.788747D+00  0.164719D+02 -0.204984D+00 -0.639546D+01 -0.230227D+01
      6   0.402615D+01 -0.753182D+00  0.250451D+01  0.102350D+01  0.430958D+01
               146           147           148           149           150 
      1  -0.100835D+02 -0.152834D+02 -0.900116D+01 -0.190552D+02 -0.168318D+02
      2   0.379858D+01  0.129140D+01  0.594821D+01  0.800059D+01 -0.398043D+00
      3   0.628495D+01  0.139920D+02  0.305295D+01  0.110546D+02  0.172299D+02
      4  -0.509138D+01 -0.313321D+01  0.218905D+01 -0.188422D+02 -0.178108D+02
      5  -0.795260D+00 -0.639387D+01  0.770151D+01 -0.140161D+02 -0.206868D+02
      6   0.690215D+01  0.623312D+01  0.363657D+00  0.182407D+02  0.190304D+02
               151           152           153           154           155 
      1  -0.644455D+01 -0.124757D+02 -0.243606D+02  0.165625D+03  0.348967D+02
      2   0.255613D+01 -0.303779D-01 -0.334065D+01 -0.735727D+02 -0.976520D+01
      3   0.388842D+01  0.125061D+02  0.277013D+02 -0.920521D+02 -0.251315D+02
      4   0.197951D+01 -0.134726D+02 -0.143533D+02  0.597037D+02  0.433669D+02
      5   0.396663D+01 -0.124959D+02 -0.225516D+02  0.105541D+02  0.454240D+01
      6   0.334212D+00  0.148587D+02  0.174627D+02  0.963862D-01  0.952812D+00
               156           157           158           159           160 
      1  -0.600719D+01  0.483847D+02  0.330785D+02 -0.401902D+01 -0.869775D+01
      2  -0.105507D+01 -0.112441D+02 -0.199447D+01 -0.798017D+00  0.467977D+00
      3   0.706226D+01 -0.371405D+02 -0.310840D+02  0.481704D+01  0.822977D+01
      4   0.877376D+00  0.602402D+02  0.505859D+02 -0.495308D+01 -0.550913D+01
      5   0.318340D+02  0.166846D+01 -0.197366D+00  0.149458D+02  0.300406D+02
      6   0.564876D+01  0.350047D+01  0.324475D+01  0.669887D+01  0.642529D+01
               161           162           163           164           165 
      1  -0.355053D+01  0.178187D+02  0.419114D+02  0.131081D+02  0.109962D+02
      2  -0.680027D+00 -0.103856D+02 -0.272670D+02 -0.492112D+01 -0.843540D+01
      3   0.423056D+01 -0.743305D+01 -0.146444D+02 -0.818701D+01 -0.256083D+01
      4  -0.873915D+01  0.112073D+02  0.223034D+02  0.107972D+02  0.199114D+01
      5   0.101727D+02 -0.796250D+01  0.258515D+02  0.339047D+01  0.175533D+02
      6   0.553147D+01 -0.492188D+00  0.952228D+01  0.158409D+01  0.651685D+00
               166           167           168           169           170 
      1   0.185072D+02 -0.544276D+01 -0.813365D+01 -0.591519D+01 -0.614423D+01
      2  -0.951246D+01  0.274420D+01  0.141802D+01 -0.204650D+01  0.166780D+01
      3  -0.899471D+01  0.269856D+01  0.671563D+01  0.796169D+01  0.447644D+01
      4   0.118110D+02  0.710406D+01  0.110609D+02 -0.269051D+01  0.289048D+01
      5   0.110271D+02  0.119269D+02  0.109790D+02  0.159816D+02  0.408340D+01
      6   0.273813D+01  0.663991D+01  0.120759D+02  0.205775D+00  0.102144D+02
               171           172           173           174           175 
      1  -0.281700D+02 -0.432849D+02 -0.846574D+01  0.836579D+01 -0.198792D+02
      2  -0.153018D+02  0.242976D+02  0.387102D+01  0.403186D+01  0.131683D+02
      3   0.434718D+02  0.189872D+02  0.459472D+01 -0.123977D+02  0.671088D+01
      4   0.253880D+01 -0.194989D+02 -0.781339D+01 -0.196550D+01 -0.102874D+02
      5   0.444102D+02 -0.205310D+02 -0.459891D+01 -0.140601D+02 -0.119340D+02
      6   0.781660D+01 -0.769700D+01 -0.425055D+01 -0.252946D+01 -0.408636D+01
               176           177           178           179           180 
      1  -0.844926D+01  0.197670D+01 -0.337740D+01  0.483553D+00 -0.109897D+02
      2   0.462815D+01  0.336578D+01  0.891562D+01  0.735212D+00  0.391459D+01
      3   0.382111D+01 -0.534248D+01 -0.553822D+01 -0.121876D+01  0.707512D+01
      4  -0.415095D+01  0.109831D+01 -0.572353D+01 -0.348699D+00 -0.416432D+01
      5   0.134134D+00 -0.883033D+01 -0.103374D+02 -0.195981D+01 -0.850842D+00
      6  -0.242313D+01  0.179650D+01 -0.282368D+01  0.131260D+01 -0.235920D+01
               181           182           183           184           185 
      1   0.384437D+02  0.555986D+02 -0.121587D+02 -0.366852D+02  0.254400D+02
      2  -0.245574D+02 -0.427107D+02  0.616135D+01  0.239997D+02 -0.255935D+02
      3  -0.138863D+02 -0.128879D+02  0.599739D+01  0.126855D+02  0.153538D+00
      4   0.151047D+02  0.295139D+02 -0.691102D+01  0.174687D+02  0.259843D+02
      5  -0.273652D+00 -0.973050D+01  0.114082D+02  0.240512D+01 -0.105004D+02
      6  -0.156781D+01  0.779791D+01 -0.880895D+01 -0.655065D+01  0.887394D+01
               186           187           188           189           190 
      1  -0.300404D+01  0.679540D+01 -0.103131D+02  0.144004D+01  0.112814D+03
      2   0.457173D+01 -0.127123D+02  0.142198D+02 -0.499820D+01 -0.616213D+02
      3  -0.156770D+01  0.591693D+01 -0.390671D+01  0.355816D+01 -0.511930D+02
      4  -0.108585D+02 -0.237098D+01 -0.130194D+02 -0.196886D+02 -0.147324D+02
      5  -0.410271D+01  0.288795D+02 -0.175467D+02  0.770136D+01  0.502972D+01
      6   0.358851D+01 -0.219894D+02  0.155910D+02 -0.349214D+00 -0.233403D+00
               191           192           193           194           195 
      1  -0.273710D+02 -0.928429D+00 -0.818163D+02 -0.400912D+02  0.165262D+02
      2   0.104081D+02 -0.598688D+00  0.443871D+02  0.429455D+02 -0.158638D+02
      3   0.169629D+02  0.152712D+01  0.374292D+02 -0.285429D+01 -0.662355D+00
      4   0.102660D+02 -0.136872D+01 -0.390385D+02 -0.535920D+02  0.103094D+02
      5  -0.141658D+01  0.124600D+01  0.171338D+02  0.964194D+01 -0.635259D+01
      6   0.236034D+01 -0.175380D+01  0.185188D+01 -0.109658D+02 -0.164182D+01
               196           197           198           199           200 
      1   0.138724D+02  0.119034D+02  0.198224D+02 -0.114833D+03 -0.619926D+01
      2  -0.865129D+01 -0.102602D+02 -0.176694D+02  0.545250D+02  0.123157D+02
      3  -0.522114D+01 -0.164324D+01 -0.215305D+01  0.603083D+02 -0.611642D+01
      4   0.156905D+02  0.565806D+01 -0.876397D+01 -0.119535D+02 -0.239858D+02
      5   0.428998D+02 -0.146300D+02  0.214423D+01  0.387946D+01  0.101581D+02
      6  -0.479002D+01  0.647955D+01  0.301056D+01  0.713930D+01 -0.473765D+01
               201           202           203           204           205 
      1   0.821348D+01  0.109625D+03  0.573634D+01 -0.960888D+01 -0.126512D+02
      2  -0.561056D+01 -0.677006D+02 -0.153713D+02  0.817870D+01  0.988529D+01
      3  -0.260292D+01 -0.419249D+02  0.963501D+01  0.143018D+01  0.276596D+01
      4   0.815798D+01  0.137331D+02  0.212753D+02  0.101093D+01  0.773755D+00
      5   0.487587D+01 -0.368118D+01  0.163925D+01  0.924224D+01  0.557856D+01
      6   0.147618D+01  0.319373D+01  0.918399D+01  0.411439D+01  0.289180D+01
               206           207           208           209           210 
      1  -0.718885D+00 -0.118834D+02  0.170558D+02 -0.377538D+01  0.257751D+01
      2   0.394832D+01 -0.484958D+01 -0.100089D+02  0.142737D+01  0.519567D+00
      3  -0.322944D+01  0.167329D+02 -0.704685D+01  0.234801D+01 -0.309707D+01
      4   0.648916D+01  0.190593D+02 -0.176336D+02  0.129727D+02  0.269740D+01
      5   0.225498D+02 -0.840719D+01  0.213634D+01  0.195931D+01  0.225985D+02
      6   0.823354D+01  0.758683D+00  0.177855D+01 -0.784960D+00  0.607039D+00
               211           212           213           214           215 
      1  -0.156720D+02  0.234969D+01  0.245515D+01  0.316259D+01 -0.443791D+00
      2   0.619320D+01  0.150827D+01  0.194785D+01 -0.134193D+01  0.119455D+01
      3   0.947884D+01 -0.385796D+01 -0.440300D+01 -0.182066D+01 -0.750755D+00
      4   0.280114D+02 -0.233608D+02  0.375699D+01 -0.235213D+01  0.130280D+01
      5  -0.566371D+00  0.513902D+01  0.926190D+01  0.123941D+02 -0.728004D+01
      6  -0.649778D+00  0.263922D+01  0.814438D+01 -0.237226D+01  0.430698D+01
               216           217           218           219           220 
      1   0.256984D+01 -0.790126D+02  0.225082D+02  0.311632D+01  0.372630D+02
      2  -0.253611D+01  0.436685D+02 -0.112048D+02 -0.109409D+01 -0.182251D+02
      3  -0.337388D-01  0.353442D+02 -0.113034D+02 -0.202223D+01 -0.190379D+02
      4  -0.744441D+01  0.265880D+02  0.165640D+02 -0.632791D+01 -0.944439D+01
      5  -0.182679D+01  0.203832D+01 -0.623845D+01  0.885631D+01 -0.774822D+01
      6  -0.181312D+01 -0.329685D+01 -0.108872D+01  0.230688D+01 -0.302699D+01
               221           222           223           224           225 
      1   0.753477D+01 -0.906271D+01 -0.142315D+01 -0.518549D+01  0.158507D+02
      2  -0.596011D+01 -0.399096D+01 -0.338989D+01 -0.312685D+01 -0.631916D+01
      3  -0.157467D+01  0.130537D+02  0.481304D+01  0.831235D+01 -0.953151D+01
      4  -0.960378D+01 -0.182778D+02 -0.579290D+01 -0.153126D+02 -0.361502D+02
      5  -0.186512D+02 -0.587802D+02 -0.961120D+01 -0.352880D+02  0.239409D+02
      6  -0.433218D+01 -0.147281D+02 -0.766184D+01 -0.101509D+02  0.728361D+01
               226           227           228           229           230 
      1  -0.928793D+01 -0.177729D+02  0.416796D+01 -0.102941D+02 -0.459299D+02
      2   0.952812D+01  0.190542D+02 -0.304232D+01  0.113707D+02  0.547312D+02
      3  -0.240194D+00 -0.128138D+01 -0.112564D+01 -0.107659D+01 -0.880135D+01
      4   0.411663D+01  0.639696D+01 -0.102147D+01  0.322990D+01 -0.377884D+01
      5  -0.485829D+00 -0.569973D+00  0.103301D+01  0.140751D-01  0.209779D+01
      6  -0.267587D+01 -0.481789D+01  0.364665D+01 -0.295239D+01 -0.131248D+02
               231           232           233           234           235 
      1   0.923474D+01  0.262944D+01  0.952268D+01 -0.232753D+01  0.177721D+02
      2  -0.808275D+01 -0.293690D+01 -0.989526D+01  0.250446D+01  0.126935D+01
      3  -0.115199D+01  0.307463D+00  0.372581D+00 -0.176924D+00 -0.190414D+02
      4   0.983656D+00 -0.478717D+00  0.682732D+00  0.958901D+00 -0.370070D+02
      5  -0.151507D+01  0.208610D+01  0.473356D-01 -0.210678D+00  0.606941D+01
      6   0.901006D+01 -0.600791D-01  0.530545D+01 -0.281495D+01 -0.276148D+01
               236           237           238           239           240 
      1  -0.967951D+01  0.102862D+01 -0.745567D+01 -0.391266D+01  0.235295D+00
      2  -0.716394D+01  0.319729D-01 -0.131471D+02  0.306377D+02 -0.173343D+01
      3   0.168434D+02 -0.106059D+01  0.206028D+02 -0.267250D+02  0.149813D+01
      4   0.365365D+02 -0.377913D+01  0.434025D+02 -0.597924D+02  0.671478D+01
      5  -0.529649D+01  0.559500D+01 -0.784234D+01  0.921561D+01 -0.768693D+01
      6   0.295182D+01 -0.366980D+01  0.584796D+01 -0.762478D+01  0.728431D+01
               241           242           243           244           245 
      1  -0.376886D-01  0.819973D+00 -0.171848D+01  0.200823D+02  0.120869D+02
      2   0.291907D+01 -0.349794D+01  0.225826D+01 -0.811333D+01 -0.388977D+01
      3  -0.288138D+01  0.267797D+01 -0.539780D+00 -0.119690D+02 -0.819710D+01
      4  -0.537725D+01  0.726753D+01 -0.403414D+01  0.214144D+02  0.151442D+02
      5   0.288639D+00 -0.353827D+01  0.197265D+01 -0.472045D+01 -0.300714D+01
      6   0.232271D+00  0.378699D+01 -0.197242D+01 -0.112706D+01 -0.116044D+01
               246           247           248           249           250 
      1  -0.324933D+01  0.137016D+02 -0.516037D+00 -0.546646D+00 -0.377949D+01
      2   0.158487D+01 -0.114558D+01  0.114480D+02 -0.405106D+00  0.150376D+01
      3   0.166446D+01 -0.125560D+02 -0.109319D+02  0.951752D+00  0.227573D+01
      4  -0.368222D+01  0.254031D+02  0.357393D+02 -0.703184D+01 -0.577234D+01
      5   0.284956D+01 -0.477402D+01 -0.568203D+01  0.557836D+01  0.215266D+01
      6   0.120768D+01 -0.230798D+01 -0.398695D+01  0.456355D+01  0.229402D+01
               251           252           253           254           255 
      1  -0.102306D+01 -0.523676D+00 -0.204957D+01  0.186457D+00 -0.111802D+02
      2  -0.111208D+01  0.141460D+01  0.131184D+00 -0.525810D+00  0.332795D+01
      3   0.213514D+01 -0.890923D+00  0.191839D+01  0.339352D+00  0.785229D+01
      4  -0.749672D+01  0.187777D+01 -0.321494D+01 -0.287005D+01 -0.482130D+00
      5   0.359428D+00 -0.107560D+01 -0.648262D+01  0.219915D-01 -0.667103D+01
      6   0.171987D+01 -0.170488D+01 -0.120824D+01  0.998133D+00 -0.268089D+01
               256           257           258           259           260 
      1   0.418592D+01  0.282463D+00  0.123574D+01 -0.298202D+02 -0.263354D+01
      2  -0.236347D+01  0.692369D+00  0.617781D+00  0.197280D+02  0.268687D+01
      3  -0.182245D+01 -0.974832D+00 -0.185352D+01  0.100922D+02 -0.533311D-01
      4   0.148376D+02  0.170720D+02 -0.155472D+02 -0.166471D+02 -0.166743D+02
      5  -0.996653D+01 -0.143613D+02  0.260332D+02  0.296306D+02  0.217436D+02
      6  -0.356512D+01 -0.630683D+01  0.107343D+02  0.763034D+01  0.943047D+01
               261           262           263           264           265 
      1  -0.432532D+01  0.196751D+03 -0.143229D+02 -0.769649D+01 -0.388770D+02
      2  -0.110333D+02 -0.103508D+03  0.838269D+01  0.497677D+01  0.213881D+02
      3   0.153586D+02 -0.932432D+02  0.594026D+01  0.271972D+01  0.174889D+02
      4   0.234680D+02 -0.496614D+01  0.156998D+02  0.904829D+00  0.193903D+02
      5  -0.630840D+02 -0.114709D+02  0.151953D+01  0.178579D+02  0.303437D+01
      6  -0.153016D+02  0.179647D+01 -0.866184D+00  0.673999D+00 -0.132369D+01
               266           267           268           269           270 
      1   0.179320D+02  0.177942D+01 -0.318282D+01  0.545453D+00  0.143664D+02
      2  -0.880894D+01 -0.836349D+00  0.264385D+01  0.150254D+00 -0.870546D+01
      3  -0.912308D+01 -0.943075D+00  0.538978D+00 -0.695707D+00 -0.566098D+01
      4  -0.963726D+01  0.599207D+00  0.917795D+00  0.148712D+01  0.176915D+01
      5   0.276938D+00 -0.255688D+01  0.212737D+02  0.988792D+00 -0.387430D+01
      6   0.102929D+01  0.140801D+01  0.416569D+00  0.186047D+01 -0.336486D+00
               271           272           273           274           275 
      1   0.594974D+01  0.474844D+01  0.893287D+01  0.183778D+02  0.657322D+01
      2  -0.212081D+01 -0.258122D+01 -0.466822D+01 -0.541535D+01  0.566542D+01
      3  -0.382893D+01 -0.216723D+01 -0.426465D+01 -0.129624D+02 -0.122386D+02
      4   0.301988D+01  0.965496D+00  0.249964D+01  0.301121D+02  0.404770D+02
      5   0.883642D+01  0.158766D+01 -0.362873D+01  0.135908D+02  0.234101D+02
      6   0.209943D+01 -0.546130D-01 -0.179446D+01  0.504292D+01  0.825661D+01
               276           277           278           279 
      1   0.219128D+01  0.314619D+02  0.635060D+01 -0.551719D+00
      2   0.342882D+01 -0.142549D+02  0.485199D+00 -0.859085D+00
      3  -0.562010D+01 -0.172071D+02 -0.683580D+01  0.141080D+01
      4   0.236513D+02  0.226986D+02  0.263947D+02  0.248487D+02
      5   0.278160D+02  0.196785D+02  0.243370D+02  0.348234D+02
      6   0.920882D+01  0.687856D+01  0.889351D+01  0.980011D+01
 Leave Link  716 at Thu Aug 12 23:39:44 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.289118D+03 -0.116291D+02 -0.982481D+01
      2  -0.116291D+02  0.174137D+03 -0.824564D+01
      3  -0.982481D+01 -0.824564D+01  0.119333D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.100561D+02  0.192055D+02 -0.147863D+02
      2  -0.238848D+02 -0.124551D+02 -0.278743D+02
      3   0.487969D+02 -0.578714D+02  0.199365D+02
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.309404D+03 -0.928496D+02 -0.134371D+02
      2  -0.136944D+03  0.750554D+02 -0.126958D+02
      3  -0.172460D+03  0.177942D+02  0.261328D+02
      4  -0.193431D+02  0.118888D+03 -0.412819D+02
      5   0.469337D+02 -0.498453D+02 -0.592535D+02
      6  -0.236629D+02  0.398836D+02  0.242336D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    93 ND12= 1 LenFil=    3351:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.357660D+02  0.744146D+01  0.592922D+00 -0.365948D+02  0.114878D+02
      2   0.744146D+01 -0.342577D+01  0.691680D-01  0.114878D+02 -0.108541D+02
      3   0.592922D+00  0.691680D-01  0.112938D+00  0.760145D-01  0.111025D+01
                 6             7             8             9            10 
      1   0.760145D-01  0.922456D+01 -0.284893D+01 -0.818642D+00  0.435036D+02
      2   0.111025D+01 -0.284893D+01  0.179527D+01 -0.122082D+01 -0.998358D+01
      3   0.168742D-01 -0.818642D+00 -0.122082D+01  0.576207D+00 -0.737813D+00
                11            12            13            14            15 
      1  -0.998358D+01 -0.737813D+00  0.341444D+02 -0.100709D+02  0.242884D-01
      2   0.694525D+01 -0.686574D+00 -0.100709D+02  0.880999D+01 -0.811374D+00
      3  -0.686574D+00 -0.143710D+00  0.242884D-01 -0.811374D+00  0.110458D-01
                16            17            18            19            20 
      1  -0.895297D+01  0.282144D+01  0.150290D+01  0.322660D+02 -0.741015D+01
      2   0.282144D+01 -0.179843D+01  0.907008D+00 -0.741015D+01  0.517568D+01
      3   0.150290D+01  0.907008D+00 -0.370421D+00 -0.267189D+00 -0.643435D+00
                21            22            23            24            25 
      1  -0.267189D+00 -0.233505D+02  0.362086D+01 -0.105847D+00  0.299223D+01
      2  -0.643435D+00  0.362086D+01 -0.573227D+01 -0.856303D-01 -0.719782D+00
      3   0.162151D+00 -0.105847D+00 -0.856303D-01 -0.167488D+01 -0.106692D+01
                26            27            28            29            30 
      1  -0.719782D+00 -0.106692D+01 -0.430668D+02  0.590207D+01  0.377925D+00
      2  -0.361616D+00 -0.298431D+01  0.590207D+01 -0.305798D+01 -0.237082D+00
      3  -0.298431D+01  0.169766D+01  0.377925D+00 -0.237082D+00 -0.207465D+01
                31            32            33            34            35 
      1   0.121166D+02 -0.122371D+01 -0.155491D+01 -0.487141D+01 -0.969692D+00
      2  -0.122371D+01  0.100458D+02 -0.153494D+01 -0.969692D+00 -0.951672D+00
      3  -0.155491D+01 -0.153494D+01  0.420655D+00 -0.654947D+01  0.121394D+01
                36            37            38            39            40 
      1  -0.654947D+01 -0.217643D+01 -0.910497D+00  0.307950D+00  0.997627D+01
      2   0.121394D+01 -0.910497D+00 -0.966131D+01  0.166755D+01 -0.266588D+01
      3   0.190247D+00  0.307950D+00  0.166755D+01 -0.179042D+01 -0.439639D+00
                41            42            43            44            45 
      1  -0.266588D+01 -0.439639D+00 -0.213523D+01 -0.214883D+00 -0.483326D+01
      2  -0.164244D+01  0.135960D+01 -0.214883D+00  0.220353D+01  0.313819D+01
      3   0.135960D+01  0.129966D+01 -0.483326D+01  0.313819D+01 -0.863158D+00
                46            47            48            49            50 
      1   0.776751D+01 -0.147420D+01 -0.447107D-01  0.415839D+00 -0.132756D+01
      2  -0.147420D+01  0.749822D+01 -0.590175D+00 -0.132756D+01  0.252389D+00
      3  -0.447107D-01 -0.590175D+00  0.167781D+01  0.591524D+00  0.976931D+00
                51            52            53            54            55 
      1   0.591524D+00 -0.227163D+00  0.748580D+00  0.136394D+01 -0.130779D+02
      2   0.976931D+00  0.748580D+00  0.965108D+00  0.372786D+01  0.357788D+01
      3   0.777293D+00  0.136394D+01  0.372786D+01 -0.181072D+01  0.116073D-01
                56            57            58            59            60 
      1   0.357788D+01  0.116073D-01  0.380615D+01 -0.403696D+00 -0.683679D+00
      2  -0.101599D+02  0.115372D+01 -0.403696D+00  0.133293D+01 -0.109939D+01
      3   0.115372D+01 -0.164571D+01 -0.683679D+00 -0.109939D+01 -0.792716D+00
                61            62            63            64            65 
      1  -0.263145D+00 -0.787333D+00 -0.175583D+01 -0.245906D+01 -0.230036D+01
      2  -0.787333D+00 -0.823977D+00 -0.333107D+01 -0.230036D+01 -0.141271D+01
      3  -0.175583D+01 -0.333107D+01  0.188544D+01  0.550311D+00  0.318311D+00
                66            67            68            69            70 
      1   0.550311D+00 -0.315956D+01 -0.283151D+01  0.716694D+00  0.812562D+00
      2   0.318311D+00 -0.283151D+01 -0.495597D+01  0.992796D+00  0.664898D+00
      3  -0.456881D+00  0.716694D+00  0.992796D+00 -0.988573D+00 -0.231825D+00
                71            72            73            74            75 
      1   0.664898D+00 -0.231825D+00 -0.444562D+01  0.308524D+01 -0.234024D+00
      2   0.959375D+00 -0.290016D+00  0.308524D+01 -0.332416D+01  0.342938D+00
      3  -0.290016D+00  0.254202D+00 -0.234024D+00  0.342938D+00 -0.370673D+00
                76            77            78            79            80 
      1   0.339929D+01 -0.443773D+01  0.656662D+00 -0.256369D+00  0.690196D+00
      2  -0.443773D+01  0.766139D+01 -0.869226D+00  0.690196D+00 -0.108581D+01
      3   0.656662D+00 -0.869226D+00  0.863025D+00  0.399611D+00  0.268572D+00
                81            82            83            84            85 
      1   0.399611D+00  0.174156D+01  0.212088D+01 -0.476390D+00  0.113115D+01
      2   0.268572D+00  0.212088D+01  0.310470D+01 -0.632350D+00  0.244836D+01
      3  -0.214272D+00 -0.476390D+00 -0.632350D+00  0.482293D+00 -0.448576D+00
                86            87            88            89            90 
      1   0.244836D+01 -0.448576D+00 -0.320600D+00 -0.534518D+00  0.141930D+00
      2   0.872087D+01 -0.156212D+01 -0.534518D+00 -0.179245D+01  0.418161D+00
      3  -0.156212D+01  0.112252D+01  0.141930D+00  0.418161D+00 -0.275495D+00
                91            92            93            94            95 
      1   0.135020D+02 -0.162952D+01  0.338237D+00  0.376975D+01  0.946815D+00
      2  -0.162952D+01  0.148858D+01  0.687777D+00  0.946815D+00 -0.348067D+01
      3   0.338237D+00  0.687777D+00  0.289862D+01  0.371343D+00  0.175732D+01
                96            97            98            99           100 
      1   0.371343D+00 -0.233003D+01  0.113784D+01  0.742185D+01  0.814641D+01
      2   0.175732D+01  0.113784D+01  0.160800D+01 -0.313196D-02 -0.621763D+00
      3   0.112151D+01  0.742185D+01 -0.313196D-02 -0.166567D+01 -0.167074D+01
               101           102           103           104           105 
      1  -0.621763D+00 -0.167074D+01 -0.206783D+01 -0.164449D+01 -0.721079D-01
      2  -0.166368D+01 -0.507101D+00 -0.164449D+01  0.143316D+01 -0.335582D+01
      3  -0.507101D+00 -0.240016D+01 -0.721079D-01 -0.335582D+01 -0.145369D+01
               106           107           108           109           110 
      1   0.531454D+01 -0.854434D+00 -0.506285D+01  0.651671D+01  0.338904D+01
      2  -0.854434D+00 -0.235944D+01 -0.656299D+00  0.338904D+01  0.116605D+01
      3  -0.506285D+01 -0.656299D+00  0.269478D+01 -0.130512D+01 -0.287916D+00
               111           112           113           114           115 
      1  -0.130512D+01  0.102085D+01  0.136203D+01 -0.866407D+00 -0.680423D+01
      2  -0.287916D+00  0.136203D+01  0.738690D+00 -0.832039D+00 -0.110046D+01
      3  -0.890194D+00 -0.866407D+00 -0.832039D+00 -0.256448D+00 -0.358866D+01
               116           117           118           119           120 
      1  -0.110046D+01 -0.358866D+01 -0.460530D+00  0.201325D+01 -0.648782D+00
      2  -0.138618D+01 -0.537707D-01  0.201325D+01 -0.178806D+01  0.105566D-01
      3  -0.537707D-01  0.194172D+00 -0.648782D+00  0.105566D-01 -0.113489D+01
               121           122           123           124           125 
      1   0.415956D+01 -0.216166D+01  0.190431D+00 -0.122490D+01  0.120418D+00
      2  -0.216166D+01  0.581677D+01 -0.935923D+00  0.120418D+00 -0.127718D+01
      3   0.190431D+00 -0.935923D+00  0.138739D+01 -0.140487D+01  0.102934D+01
               126           127           128           129           130 
      1  -0.140487D+01  0.137143D+00 -0.624047D+00  0.189235D+00 -0.201601D+01
      2   0.102934D+01 -0.624047D+00  0.771391D+00 -0.274562D+00  0.529366D-01
      3  -0.436546D+00  0.189235D+00 -0.274562D+00  0.121107D+01  0.580352D+00
               131           132           133           134           135 
      1   0.529366D-01  0.580352D+00  0.271379D+00  0.108680D+00  0.244865D+00
      2  -0.393347D+01  0.214999D+01  0.108680D+00  0.150497D+01 -0.118954D+01
      3   0.214999D+01 -0.265348D+01  0.244865D+00 -0.118954D+01  0.172190D+01
               136           137           138           139           140 
      1  -0.145757D+02  0.747096D+00  0.351202D+01  0.395304D+00 -0.112493D+01
      2   0.747096D+00 -0.892271D+00 -0.284234D+00 -0.112493D+01  0.337663D-01
      3   0.351202D+01 -0.284234D+00 -0.241649D+01 -0.212560D+00  0.629068D+00
               141           142           143           144           145 
      1  -0.212560D+00  0.124986D+01  0.609762D-01 -0.116373D+01  0.321422D-01
      2   0.629068D+00  0.609762D-01  0.111539D+00  0.705798D-01  0.777268D+00
      3   0.141485D+00 -0.116373D+01  0.705798D-01  0.277667D+00  0.706759D+00
               146           147           148           149           150 
      1   0.777268D+00  0.706759D+00  0.149785D+01  0.164511D+00 -0.297292D+00
      2   0.101471D+01  0.804265D+00  0.164511D+00  0.297582D+01  0.271455D+01
      3   0.804265D+00  0.195350D+01 -0.297292D+00  0.271455D+01  0.357160D+01
               151           152           153           154           155 
      1   0.352186D+00  0.455239D-01  0.263693D+00 -0.173196D+02 -0.447198D+01
      2   0.455239D-01  0.207193D+01  0.228566D+01 -0.447198D+01 -0.267982D+01
      3   0.263693D+00  0.228566D+01  0.429785D+01  0.553545D+00 -0.301191D+00
               156           157           158           159           160 
      1   0.553545D+00 -0.733380D+01 -0.526517D+01  0.315029D+00  0.888072D+00
      2  -0.301191D+00 -0.526517D+01 -0.402061D+01  0.350839D+00  0.441100D+00
      3  -0.266028D+01  0.315029D+00  0.350839D+00 -0.127352D+01 -0.233619D+01
               161           162           163           164           165 
      1   0.441100D+00 -0.233619D+01 -0.108925D+02 -0.256105D+01 -0.313870D+01
      2   0.940667D+00 -0.103093D+01 -0.256105D+01 -0.253650D+00  0.572569D-02
      3  -0.103093D+01  0.133947D+01 -0.313870D+01  0.572569D-02 -0.113990D+01
               166           167           168           169           170 
      1  -0.570345D+01 -0.740593D+00 -0.948232D+00 -0.154416D+00  0.124678D+00
      2  -0.740593D+00 -0.799144D+00 -0.164646D+01  0.124678D+00 -0.480979D+00
      3  -0.948232D+00 -0.164646D+01 -0.195854D+01 -0.869844D+00 -0.105391D+01
               171           172           173           174           175 
      1  -0.869844D+00  0.102832D+02  0.224441D+01  0.152685D+01  0.698792D+01
      2  -0.105391D+01  0.224441D+01  0.649098D+00  0.396245D+00  0.933550D+00
      3  -0.704672D+01  0.152685D+01  0.396245D+00  0.274674D+01  0.138517D+01
               176           177           178           179           180 
      1   0.933550D+00  0.138517D+01  0.508861D+01  0.613701D+00  0.234025D+01
      2   0.367982D+00 -0.425520D+00  0.613701D+00 -0.865931D+00  0.569000D+00
      3  -0.425520D+00  0.150392D+01  0.234025D+01  0.569000D+00 -0.740450D+00
               181           182           183           184           185 
      1   0.111912D+02 -0.389861D+00 -0.315871D+00 -0.765486D+01  0.257608D+01
      2  -0.389861D+00  0.107380D+02 -0.198847D+01  0.257608D+01  0.344123D+01
      3  -0.315871D+00 -0.198847D+01  0.188546D+01  0.711448D+00 -0.170298D+01
               186           187           188           189           190 
      1   0.711448D+00  0.124815D+01  0.124703D+00  0.447881D+01  0.323694D+02
      2  -0.170298D+01  0.124703D+00 -0.262335D+01 -0.306406D+01 -0.568005D+01
      3  -0.965707D+00  0.447881D+01 -0.306406D+01  0.756503D+00 -0.331780D+00
               191           192           193           194           195 
      1  -0.568005D+01 -0.331780D+00 -0.198654D+02  0.179074D+01  0.204508D+01
      2   0.504986D+01 -0.178852D+00  0.179074D+01 -0.144203D+02  0.213137D+01
      3  -0.178852D+00  0.276062D+01  0.204508D+01  0.213137D+01 -0.135296D+01
               196           197           198           199           200 
      1   0.236520D+01  0.108436D+01  0.603989D+01 -0.356315D+02  0.878492D+01
      2   0.108436D+01  0.161976D+01 -0.219450D+01  0.878492D+01 -0.858312D+01
      3   0.603989D+01 -0.219450D+01 -0.890879D-01  0.611141D+00  0.138983D+01
               201           202           203           204           205 
      1   0.611141D+00  0.236419D+02 -0.318271D+01 -0.683141D+00 -0.184578D+01
      2   0.138983D+01 -0.318271D+01  0.730372D+01 -0.824062D-01  0.302585D+00
      3  -0.563373D-01 -0.683141D+00 -0.824062D-01  0.203018D+01  0.396588D+00
               206           207           208           209           210 
      1   0.302585D+00  0.396588D+00 -0.651492D+01  0.335969D-01  0.348351D+00
      2   0.643542D+00  0.360770D+01  0.335969D-01 -0.182501D+01  0.301112D+00
      3   0.360770D+01 -0.180503D+01  0.348351D+00  0.301112D+00 -0.250481D-01
               211           212           213           214           215 
      1  -0.690559D+00  0.157926D+01 -0.962423D-01  0.594476D+00 -0.258213D+00
      2   0.157926D+01 -0.206360D+01  0.339451D+00 -0.258213D+00  0.325950D+00
      3  -0.962423D-01  0.339451D+00  0.802653D+00  0.428374D+00 -0.566704D+00
               216           217           218           219           220 
      1   0.428374D+00 -0.183057D+01  0.211657D+01 -0.249571D+00  0.393266D+01
      2  -0.566704D+00  0.211657D+01  0.213350D+01 -0.604343D+00 -0.114900D+01
      3  -0.196714D-01 -0.249571D+00 -0.604343D+00  0.128406D+01 -0.653303D+00
               221           222           223           224           225 
      1  -0.114900D+01 -0.653303D+00 -0.744377D+00 -0.428847D+00 -0.105276D+01
      2   0.209565D+00 -0.167525D+01 -0.428847D+00 -0.157146D+01 -0.328000D+01
      3  -0.167525D+01 -0.506571D+01 -0.105276D+01 -0.328000D+01  0.235496D+01
               226           227           228           229           230 
      1  -0.142583D+01 -0.172369D+01  0.409729D+00 -0.661826D+00 -0.195224D+01
      2  -0.172369D+01 -0.315258D+01  0.628530D+00 -0.195224D+01 -0.842392D+01
      3   0.409729D+00  0.628530D+00 -0.477356D+00  0.391185D+00  0.150041D+01
               231           232           233           234           235 
      1   0.391185D+00  0.256401D+00  0.490484D+00  0.128292D+00  0.475491D+01
      2   0.150041D+01  0.490484D+00  0.164838D+01 -0.535775D+00 -0.373359D+01
      3  -0.113199D+01  0.128292D+00 -0.535775D+00  0.297111D+00  0.378833D+00
               236           237           238           239           240 
      1  -0.373359D+01  0.378833D+00 -0.436072D+01  0.519833D+01 -0.779815D+00
      2   0.391865D+01 -0.397320D+00  0.519833D+01 -0.796078D+01  0.902934D+00
      3  -0.397320D+00  0.555564D+00 -0.779815D+00  0.902934D+00 -0.988036D+00
               241           242           243           244           245 
      1   0.407880D+00 -0.729847D+00 -0.237887D+00  0.324816D+01  0.255374D+01
      2  -0.729847D+00  0.105406D+01 -0.351728D+00  0.255374D+01  0.140925D+01
      3  -0.237887D+00 -0.351728D+00  0.267708D+00 -0.650441D+00 -0.394110D+00
               246           247           248           249           250 
      1  -0.650441D+00  0.373231D+01  0.296008D+01 -0.730964D+00 -0.887748D+00
      2  -0.394110D+00  0.296008D+01  0.509348D+01 -0.103560D+01 -0.703823D+00
      3   0.321799D+00 -0.730964D+00 -0.103560D+01  0.813724D+00  0.258781D+00
               251           252           253           254           255 
      1  -0.703823D+00  0.258781D+00 -0.835228D+00 -0.370031D+00 -0.525717D+00
      2  -0.106113D+01  0.988072D-01 -0.370031D+00 -0.220277D+00  0.885779D-01
      3   0.988072D-01 -0.134177D+00 -0.525717D+00  0.885779D-01 -0.100786D+01
               256           257           258           259           260 
      1   0.550135D+00  0.122968D+01 -0.843694D+00 -0.355533D+01 -0.128038D+01
      2   0.122968D+01  0.140160D+01 -0.143433D+01 -0.128038D+01 -0.143162D+01
      3  -0.843694D+00 -0.143433D+01  0.238293D+01  0.250121D+01  0.208648D+01
               261           262           263           264           265 
      1   0.250121D+01  0.150868D+02 -0.101971D+01 -0.666735D+00 -0.338121D+01
      2   0.208648D+01 -0.101971D+01  0.102091D+01  0.110452D+00  0.140623D+01
      3  -0.622041D+01 -0.666735D+00  0.110452D+00  0.117762D+01  0.235521D+00
               266           267           268           269           270 
      1   0.140623D+01  0.235521D+00 -0.244981D+00  0.992909D-01  0.145401D+01
      2  -0.761207D+00  0.590032D-01  0.992909D-01  0.139226D+00  0.150488D+00
      3   0.590032D-01 -0.163989D+00  0.145401D+01  0.150488D+00 -0.326392D+00
               271           272           273           274           275 
      1  -0.685906D-01  0.116670D+00  0.848168D+00  0.216262D+01  0.242455D+01
      2   0.116670D+00  0.164400D-01  0.329567D-01  0.242455D+01  0.340926D+01
      3   0.848168D+00  0.329567D-01 -0.539666D+00  0.112566D+01  0.211447D+01
               276           277           278           279 
      1   0.112566D+01  0.375255D+01  0.175169D+01  0.160775D+01
      2   0.211447D+01  0.175169D+01  0.227991D+01  0.223477D+01
      3   0.245377D+01  0.160775D+01  0.223477D+01  0.321234D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.331863D+01  0.194142D+01 -0.581087D+00  0.356914D+01 -0.185089D+01
      2   0.732244D+01  0.331963D+01 -0.581407D+00  0.780866D+01 -0.519086D+01
      3   0.872566D+01  0.223892D+02 -0.502743D+01  0.250730D+02 -0.227246D+02
                 6             7             8             9            10 
      1   0.106122D+00 -0.522543D+01  0.866464D+01 -0.147898D+01 -0.529369D+00
      2   0.202336D+01 -0.194464D+02  0.319186D+01  0.231751D+00 -0.429013D+01
      3   0.257566D+01 -0.135890D+01  0.159965D+01  0.249611D+00  0.306598D+02
                11            12            13            14            15 
      1   0.300725D+01 -0.107848D+01 -0.100867D+01  0.868651D+00  0.454024D+00
      2   0.434879D+01 -0.505302D+01 -0.380152D-01 -0.391753D+01  0.925765D+00
      3   0.177158D+02 -0.436409D+01  0.495995D+02 -0.329489D+02  0.325926D+01
                16            17            18            19            20 
      1  -0.525550D+01  0.882654D+01 -0.139893D+01 -0.398003D+01 -0.485514D+00
      2  -0.184063D+02  0.308144D+01  0.859254D+00 -0.843157D+01 -0.280815D+01
      3  -0.719963D+01  0.409431D+01  0.526688D+00 -0.542943D+01 -0.237547D+02
                21            22            23            24            25 
      1   0.408532D+00 -0.224933D+00  0.646779D-01 -0.112329D+01 -0.774724D+01
      2   0.666331D+00  0.115494D+01  0.207509D+01  0.865027D+00 -0.178553D+02
      3   0.509655D+01 -0.370968D+01  0.562911D+01 -0.195948D+01  0.582160D+01
                26            27            28            29            30 
      1   0.422142D+01 -0.108957D+01  0.766798D+00  0.146432D+01  0.397444D+00
      2   0.837246D+01 -0.896576D+00  0.528398D+01  0.149602D+01  0.825922D+00
      3  -0.206792D+01 -0.112575D+01 -0.206804D+02  0.106614D+02 -0.131253D+01
                31            32            33            34            35 
      1   0.468059D+01  0.359860D+01  0.634345D+00  0.396877D+01  0.124384D+02
      2   0.582245D+00  0.233445D-01  0.553928D+00 -0.107623D+02  0.780904D+00
      3   0.272412D+02 -0.251676D+01 -0.146888D+01 -0.268618D+01 -0.240715D+01
                36            37            38            39            40 
      1  -0.182983D+01  0.223603D+00 -0.272143D+00  0.447100D+01  0.153366D+01
      2   0.101277D+01 -0.258673D+01 -0.565769D+00  0.443314D+00 -0.262748D+01
      3  -0.247928D+01 -0.825854D+01 -0.132030D+01 -0.169854D+00  0.116371D+02
                41            42            43            44            45 
      1  -0.888929D+00 -0.232757D+01  0.163382D+02  0.135042D+01 -0.345485D+00
      2  -0.277676D+01 -0.148108D+01 -0.109010D+02 -0.643420D+01  0.242648D+01
      3  -0.632251D+01  0.137226D+00 -0.270299D+01  0.130034D+01 -0.548176D+01
                46            47            48            49            50 
      1  -0.828897D+00 -0.186165D+01 -0.435286D+01 -0.241727D+01  0.665585D+00
      2   0.236977D+01 -0.349495D+01  0.196349D+01 -0.438286D+01  0.501425D+01
      3   0.205927D+02 -0.234692D+02  0.373405D+01 -0.590762D+01  0.232753D+02
                51            52            53            54            55 
      1  -0.218446D+01 -0.115441D+02 -0.234130D+01  0.290410D+01  0.142238D+01
      2  -0.916094D+00 -0.149915D+02  0.205439D+01  0.102556D+01  0.583595D+01
      3  -0.291393D+01  0.355831D+01 -0.240416D+01  0.522080D+01  0.306065D+02
                56            57            58            59            60 
      1  -0.355459D+01 -0.412573D+01 -0.245009D+01  0.129270D+01 -0.161518D+01
      2  -0.345105D+01 -0.281125D+01 -0.550123D+01  0.367377D+01 -0.208791D+01
      3  -0.116364D+02  0.211490D+01 -0.531193D+01  0.237147D+02 -0.133149D+01
                61            62            63            64            65 
      1  -0.118690D+02 -0.192826D+01  0.196501D+01 -0.238505D+00 -0.542501D+00
      2  -0.202365D+02 -0.174360D+01  0.502338D+01  0.112102D+01  0.715536D+00
      3   0.473620D+01 -0.927729D+00  0.126446D+02  0.180129D+01 -0.250763D+00
                66            67            68            69            70 
      1  -0.164282D+01 -0.727646D+00 -0.146760D+01 -0.279120D+01 -0.703905D+00
      2   0.543409D+00  0.116941D+01 -0.671539D-01  0.184080D+01 -0.227202D+01
      3  -0.593503D-02  0.340173D+01 -0.507528D+01  0.846599D+00 -0.342326D+00
                71            72            73            74            75 
      1   0.221401D+01  0.409553D+00 -0.248216D+00  0.167431D+00  0.216565D+01
      2  -0.841132D+00  0.818160D-02 -0.684839D+00 -0.126560D+00  0.132013D+01
      3   0.909813D+00  0.560813D+00 -0.806197D+01  0.145326D+01 -0.826085D-02
                76            77            78            79            80 
      1  -0.109467D+01  0.782643D+00 -0.405159D+01 -0.285111D+01  0.158084D+01
      2  -0.384604D+00  0.664474D+00 -0.229268D+01 -0.167391D+01 -0.862643D-01
      3   0.405401D+01  0.148214D+01  0.373410D+00  0.419959D+00 -0.437019D+00
                81            82            83            84            85 
      1   0.495379D+00  0.795108D+00  0.510983D+00 -0.207470D+01  0.710199D+00
      2   0.489742D+00  0.983020D+00  0.439460D+00  0.102470D+01  0.729571D+00
      3   0.116763D+01  0.690197D+01  0.296784D+01 -0.115108D+01  0.532578D+01
                86            87            88            89            90 
      1   0.130721D+01 -0.456036D+01  0.122024D+01  0.187178D+01  0.458269D+00
      2   0.649682D+00  0.144140D+01 -0.922521D+00  0.443668D+00 -0.590120D+00
      3   0.352655D+01 -0.115360D+01 -0.131834D+01 -0.127028D+01 -0.602155D+00
                91            92            93            94            95 
      1   0.255921D+01  0.874547D+00 -0.168490D+01  0.482652D+01 -0.511271D+00
      2  -0.617887D+01 -0.181871D+01 -0.599185D+01 -0.238095D+01 -0.806759D+01
      3   0.104937D+02 -0.526317D+00  0.238403D+01  0.189052D+02 -0.179951D+02
                96            97            98            99           100 
      1  -0.223317D+01 -0.264414D+01  0.502237D+01  0.119376D+01  0.140934D+01
      2  -0.257119D+01 -0.320943D+02 -0.547770D-01  0.383106D+01 -0.113285D+02
      3   0.729306D+01  0.308468D+00  0.104265D+02  0.769710D+01  0.809831D+00
               101           102           103           104           105 
      1  -0.586865D+01  0.495221D+00 -0.262792D+01  0.414191D+01 -0.107750D+02
      2   0.197902D+01  0.165938D+02 -0.501565D+00  0.177923D+02  0.595385D+01
      3  -0.132127D+02 -0.110648D+01 -0.831673D+01  0.816625D+01 -0.147164D+02
               106           107           108           109           110 
      1   0.287566D+01 -0.542235D+01 -0.500925D+01 -0.381598D+01  0.109797D+01
      2   0.159954D+02  0.274166D+01 -0.438406D+01  0.120129D+02  0.449600D+01
      3   0.490799D+01 -0.138552D+02 -0.708146D+01 -0.589778D+01  0.952636D+01
               111           112           113           114           115 
      1   0.921557D+01 -0.906904D+01 -0.664173D+01 -0.797247D+01  0.859045D+01
      2   0.244063D+01  0.622548D+01  0.385356D+01 -0.902577D+01  0.617758D+01
      3  -0.668070D+01  0.949939D+01  0.167446D+02 -0.217673D+01 -0.131412D+02
               116           117           118           119           120 
      1  -0.752129D-01  0.560391D+01  0.119475D+01 -0.942199D+00  0.103982D+01
      2  -0.241344D+01  0.250613D+01  0.274522D+01 -0.871267D+00  0.481194D+01
      3  -0.582967D+01 -0.397833D+01  0.871057D+01 -0.601763D+01 -0.290369D+00
               121           122           123           124           125 
      1  -0.123245D+01  0.227391D+01 -0.304843D+01  0.912573D+00 -0.347848D+00
      2  -0.156085D+01  0.448619D+01 -0.508835D+01  0.285032D+01 -0.338242D+01
      3  -0.643405D+00  0.202989D+02 -0.358658D+01 -0.114476D+01 -0.505873D+01
               126           127           128           129           130 
      1   0.625417D+00 -0.246280D+01  0.267489D+01 -0.492656D+00  0.105339D+01
      2   0.183570D+01 -0.285419D+01  0.286949D+01 -0.440370D+01  0.279428D+01
      3   0.230612D+01 -0.461654D+01  0.380550D+01 -0.123356D+01  0.338246D+01
               131           132           133           134           135 
      1  -0.106313D+02  0.326695D+01  0.645938D-01  0.486061D+01 -0.262525D+01
      2  -0.969865D+01  0.914296D+01 -0.219180D+01  0.438527D+01 -0.691603D+01
      3  -0.166253D+02  0.883319D+01  0.449981D+00  0.567700D+01 -0.485602D+01
               136           137           138           139           140 
      1  -0.138351D+01 -0.260619D+01  0.810103D+00 -0.212916D+01 -0.772825D+00
      2   0.108660D+02  0.106759D-01  0.745200D+01  0.147705D+00 -0.669488D+00
      3  -0.449121D+01 -0.608710D+01  0.617292D+00 -0.334655D+01 -0.811629D+00
               141           142           143           144           145 
      1   0.237974D+00 -0.717624D-02  0.124571D+01 -0.307413D-01  0.169424D+01
      2  -0.236280D-01  0.124523D+01  0.459501D+00  0.127538D+01 -0.485545D+01
      3   0.217866D+01 -0.554095D+00  0.242166D+01 -0.613839D+00  0.353087D+01
               146           147           148           149           150 
      1   0.302118D+01  0.195942D+00  0.180053D+01  0.578330D+01  0.213849D+01
      2  -0.454116D+01 -0.810325D+01 -0.283156D+01 -0.114005D+02 -0.130855D+02
      3   0.440424D+01  0.306921D+01  0.374790D+01  0.108088D+02  0.963201D+01
               151           152           153           154           155 
      1  -0.148777D+00  0.493723D+01  0.235380D+01  0.376877D+01  0.824968D+00
      2  -0.438335D+01 -0.918864D+01 -0.164910D+02 -0.111431D+02 -0.141996D+01
      3   0.218232D+00  0.753171D+01  0.852260D+01 -0.826934D+01 -0.212935D+02
               156           157           158           159           160 
      1  -0.583703D+01  0.654183D+01  0.429497D+01 -0.340229D+01 -0.338253D+01
      2   0.200761D+02 -0.120032D+01 -0.445629D+01  0.110371D+02  0.643558D+01
      3  -0.217729D+00 -0.172424D+02 -0.228349D+02  0.689364D+00  0.317985D+01
               161           162           163           164           165 
      1   0.150796D+01  0.136456D+01  0.530669D+01  0.247398D+01 -0.253166D+01
      2   0.368172D+01 -0.848366D+01 -0.108937D+02 -0.461099D+01  0.232989D+01
      3   0.375840D+01 -0.272439D+01 -0.734756D+01 -0.381696D+01  0.955448D+00
               166           167           168           169           170 
      1   0.716444D+01  0.421934D+01  0.213286D+01 -0.596906D+00  0.703013D+01
      2  -0.851737D+01  0.479028D+01  0.776465D+01 -0.337847D+01  0.322216D+01
      3  -0.246697D+00 -0.436644D+01 -0.851984D+01  0.404774D+01 -0.230899D+01
               171           172           173           174           175 
      1  -0.258630D+01 -0.718254D+01 -0.323459D+01  0.337591D+00 -0.842869D+01
      2   0.226661D+02  0.201174D+02  0.355316D+01 -0.681311D+01  0.792471D+01
      3  -0.356459D+01  0.291342D+01  0.251617D+01  0.206269D+01  0.812770D+01
               176           177           178           179           180 
      1  -0.271819D+01 -0.181577D+01 -0.371117D+00 -0.115604D+00 -0.885736D+00
      2   0.338077D+01 -0.405301D+01 -0.326544D+01 -0.103800D+01  0.468011D+01
      3   0.107619D+01  0.657848D+00  0.226104D+01  0.794771D+00  0.106060D+01
               181           182           183           184           185 
      1  -0.423333D+00  0.199085D+01  0.425671D+01  0.274177D+01 -0.799894D+00
      2  -0.667261D+01 -0.247194D+01  0.574804D+01 -0.930423D+00 -0.745056D+01
      3  -0.278658D+02 -0.145731D+02  0.311292D+01 -0.987968D+01 -0.253279D+02
               186           187           188           189           190 
      1  -0.229006D+01  0.152378D+02  0.370177D+01 -0.230746D+01 -0.111505D+01
      2  -0.791594D+00 -0.215958D+01 -0.101793D+02  0.105914D+01 -0.423436D+01
      3   0.547945D+01  0.287157D+01  0.701603D+01 -0.276369D+01  0.903740D+01
               191           192           193           194           195 
      1   0.318146D+01 -0.424754D+00  0.281213D+01  0.183733D+01  0.268782D+01
      2   0.419837D+01 -0.122445D+01  0.114435D+02  0.216778D+01 -0.277876D+01
      3   0.205312D+02 -0.388160D+01  0.430570D+02  0.198230D+02 -0.543598D+01
               196           197           198           199           200 
      1  -0.303218D+01  0.135449D+02 -0.294168D+01 -0.211057D+00 -0.209309D+01
      2  -0.856690D+00 -0.538452D+01  0.117119D+01  0.719565D+00 -0.168238D+01
      3  -0.810794D+01 -0.404243D+01  0.601232D+01 -0.262665D+02 -0.106400D+02
               201           202           203           204           205 
      1   0.323493D+00 -0.181407D+01  0.137801D+01 -0.296622D+01 -0.427542D+01
      2   0.397937D+01 -0.722844D+01  0.396750D+01  0.347554D+01 -0.165428D+02
      3   0.246505D+01 -0.171809D+00 -0.142033D+01 -0.173335D+01  0.461320D+01
               206           207           208           209           210 
      1   0.397942D+01  0.183552D+00  0.114135D+01 -0.280866D+01  0.731979D+00
      2   0.153148D+02 -0.429930D+01  0.363274D+01 -0.485822D+01  0.123680D+02
      3  -0.375233D+01 -0.765927D+01  0.964053D+01 -0.377109D+02  0.413484D+01
               211           212           213           214           215 
      1   0.461082D+00 -0.770050D+00 -0.541790D+01  0.252107D+01 -0.968916D+00
      2  -0.180332D+00  0.227977D+01  0.521810D+01 -0.499705D+01 -0.354302D+01
      3   0.866978D+00  0.119157D+02 -0.267501D+01  0.114973D+00  0.148561D+01
               216           217           218           219           220 
      1   0.101015D+01 -0.137440D+01  0.416407D+00 -0.983113D+00  0.231623D+01
      2  -0.623394D+00 -0.600302D+01 -0.138043D+01  0.721831D+01 -0.334593D+01
      3   0.153268D+01 -0.331816D+02 -0.291531D+01  0.364580D+01  0.636185D+01
               221           222           223           224           225 
      1   0.339502D+01  0.515838D+01  0.965909D+01  0.635820D+01 -0.147529D+01
      2  -0.672170D+01 -0.307759D+02 -0.628072D+01 -0.198998D+02  0.147735D+02
      3   0.175335D+02  0.710985D+01  0.384648D+01  0.559587D+01  0.250428D+02
               226           227           228           229           230 
      1   0.252584D+00 -0.298154D+00 -0.196778D+01  0.653653D-01 -0.809446D+00
      2   0.195898D+01  0.174707D+01 -0.103732D+00  0.142327D+01  0.356219D+01
      3   0.909004D+01  0.749407D+01 -0.197808D+01  0.696720D+01  0.174839D+02
               231           232           233           234           235 
      1  -0.415079D+01  0.145531D+01  0.193922D+01  0.374105D+00 -0.719952D+00
      2  -0.623914D+00 -0.328904D+00 -0.109008D+01 -0.135207D-01 -0.841085D+00
      3  -0.357785D+01 -0.213856D+01 -0.379273D+01  0.122518D+00 -0.304579D+00
               236           237           238           239           240 
      1   0.801798D+00  0.217112D+01 -0.172105D+00 -0.897808D+00 -0.373981D+01
      2   0.151614D-01  0.255218D+01 -0.100436D+01  0.108392D+01 -0.394338D+01
      3  -0.545316D+01  0.536253D+00 -0.551812D+01  0.157559D+02 -0.123476D+01
               241           242           243           244           245 
      1  -0.273891D+01  0.123793D+01  0.567575D+00  0.284198D+00 -0.317981D-01
      2  -0.229257D+01 -0.112770D+01  0.123227D+01 -0.565109D+00 -0.816147D+00
      3   0.179542D+01 -0.202619D+01  0.184309D+01 -0.463699D+00 -0.250941D+01
               246           247           248           249           250 
      1  -0.107755D+01  0.208245D+00 -0.275038D+00 -0.265663D+01 -0.431988D+00
      2   0.107858D+01 -0.849662D+00 -0.276302D+01  0.292353D+01 -0.102993D+01
      3   0.458541D+00 -0.813874D+00 -0.132991D+02  0.236285D+01  0.500760D+00
               251           252           253           254           255 
      1   0.143973D+01  0.365928D+00 -0.185297D+00  0.652515D+00  0.137925D+01
      2  -0.840318D+00 -0.109739D+00 -0.541180D+01  0.806541D+00 -0.529644D+01
      3   0.284395D+01  0.323122D+00  0.869966D+00  0.306777D+01 -0.227439D+01
               256           257           258           259           260 
      1  -0.244988D+00 -0.297323D+00 -0.209906D+01 -0.192409D+01  0.143772D+01
      2  -0.349458D+01 -0.778728D+01  0.135286D+02  0.769831D+01  0.120035D+02
      3  -0.415342D+01 -0.119210D+02  0.951498D+01  0.441537D+01  0.108094D+02
               261           262           263           264           265 
      1   0.495944D+01  0.655221D+00 -0.584430D+00 -0.445630D+00 -0.545353D+00
      2  -0.340768D+02  0.110225D+01  0.668073D-01  0.894392D+01  0.352337D+00
      3  -0.160012D+02  0.143433D+02 -0.101517D+02 -0.849013D+00 -0.807793D+01
               266           267           268           269           270 
      1   0.135231D+00 -0.735060D+00 -0.115003D+01  0.146321D+00  0.162166D+00
      2   0.808921D+00 -0.117586D+01  0.681896D+01  0.912499D+00 -0.161565D+01
      3   0.546947D+01 -0.468271D+00 -0.865527D+00 -0.746325D+00 -0.974107D+00
               271           272           273           274           275 
      1  -0.939215D-01  0.821794D-01  0.901331D+00 -0.138312D+01 -0.258495D+01
      2   0.598880D+01  0.734155D+00 -0.233013D+01  0.520438D+01  0.106936D+02
      3  -0.178526D+01  0.174527D+01  0.284889D+00 -0.934383D+01 -0.243266D+02
               276           277           278           279 
      1  -0.452834D+01 -0.275161D+01 -0.129653D+01 -0.511354D+01
      2   0.140201D+02  0.548377D+01  0.124137D+02  0.173068D+02
      3  -0.129059D+02 -0.650669D+01 -0.153382D+02 -0.149272D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.746058D+02  0.439451D+02 -0.435596D+01 -0.728175D+02  0.312375D+01
      2   0.376107D+02 -0.297283D+02  0.339670D+01  0.373793D+02  0.612252D+01
      3   0.369951D+02 -0.142168D+02  0.959260D+00  0.354381D+02 -0.924627D+01
      4   0.246379D+02  0.943528D+01 -0.304692D+01  0.100219D+02 -0.206825D+02
      5  -0.760085D+01 -0.352120D+01  0.486668D+00 -0.537622D+01  0.679962D+01
      6   0.275405D+01  0.137051D+01  0.113082D+01  0.426013D+01 -0.536281D+01
                 6             7             8             9            10 
      1   0.247611D+01  0.180115D+02 -0.522505D+01 -0.100752D+02  0.110281D+03
      2  -0.408268D+01 -0.813011D+01  0.167773D+01 -0.132650D+01 -0.518423D+02
      3   0.160657D+01 -0.988144D+01  0.354732D+01  0.114017D+02 -0.584388D+02
      4   0.363920D+01 -0.330495D+01  0.313382D+01 -0.640407D+00  0.100133D+02
      5   0.236156D+01  0.162961D+01 -0.103638D+01  0.432388D+00 -0.143713D+00
      6   0.448430D+00  0.152499D+01  0.345528D+01  0.147291D+01 -0.748862D+01
                11            12            13            14            15 
      1  -0.661574D+00 -0.814547D+01  0.583426D+02 -0.348482D+02  0.207955D+01
      2  -0.396576D+01  0.417849D+01 -0.215952D+02  0.242955D+02 -0.414702D+01
      3   0.462733D+01  0.396698D+01 -0.367474D+02  0.105527D+02  0.206747D+01
      4   0.142896D+02 -0.485415D+01 -0.302979D+02  0.162736D+02 -0.628643D+00
      5  -0.718522D+01 -0.813127D+01  0.971353D+01 -0.233604D+01  0.251257D+00
      6   0.424687D+01  0.110082D+01 -0.393222D+01 -0.642846D+00 -0.723317D+00
                16            17            18            19            20 
      1  -0.181554D+02  0.578726D+01 -0.407333D+01  0.394468D+02 -0.474686D+02
      2   0.776400D+01 -0.409474D+01 -0.327266D+01 -0.190605D+02  0.350982D+02
      3   0.103914D+02 -0.169252D+01  0.734599D+01 -0.203862D+02  0.123703D+02
      4   0.597822D+01 -0.289446D+01  0.366858D+01 -0.268471D+02 -0.109679D+02
      5   0.134854D+01  0.270649D+01  0.855914D+00  0.100367D+02  0.388924D+01
      6   0.456655D+01  0.297221D+01  0.184109D+01 -0.263907D+01 -0.523448D+00
                21            22            23            24            25 
      1   0.596865D+01  0.770834D+01  0.321630D+02 -0.545767D+01 -0.446415D+01
      2  -0.464706D+01 -0.206378D+02 -0.317037D+02  0.636797D+01  0.686901D+01
      3  -0.132159D+01  0.129295D+02 -0.459267D+00 -0.910302D+00 -0.240486D+01
      4   0.308452D+01  0.165295D+02 -0.240800D+01  0.267342D+01 -0.113557D+01
      5  -0.294149D+01 -0.671947D+01  0.325516D+01  0.642344D+01  0.465651D+01
      6   0.857639D+00  0.913597D+01  0.548350D+01  0.144527D+01  0.286219D+01
                26            27            28            29            30 
      1  -0.131482D+01 -0.765269D+01  0.984628D+01 -0.116542D+01  0.299093D+01
      2   0.553242D+01 -0.654256D+01 -0.232024D+02 -0.191465D+01 -0.172840D+01
      3  -0.421760D+01  0.141953D+02  0.133561D+02  0.308007D+01 -0.126253D+01
      4   0.506543D+01  0.443387D+01 -0.625088D+00  0.130365D+02  0.422338D+00
      5   0.934115D+01 -0.221559D+01 -0.105964D+02  0.226592D+01  0.911182D+01
      6   0.490760D+01 -0.566555D+00  0.102974D+02 -0.155234D+01 -0.242626D+01
                31            32            33            34            35 
      1   0.155805D+02 -0.642267D+02  0.884670D+01 -0.663739D+00  0.104764D+02
      2  -0.475176D+01  0.601410D+02 -0.124326D+02 -0.271808D+01 -0.114966D+02
      3  -0.108287D+02  0.408577D+01  0.358586D+01  0.338181D+01  0.102027D+01
      4  -0.392962D+02 -0.105208D+02  0.474665D+01  0.152254D+02  0.297450D+01
      5   0.129551D+02  0.507521D+01 -0.776739D+00  0.322350D+02 -0.603962D+01
      6  -0.101334D+01 -0.571642D+01 -0.140560D+01 -0.627972D+01  0.599842D+01
                36            37            38            39            40 
      1  -0.375782D-02 -0.504822D+01  0.670733D+02 -0.128531D+02 -0.189579D+02
      2  -0.858383D+01 -0.110125D+01 -0.532190D+02  0.828690D+01  0.200796D+02
      3   0.858759D+01  0.614947D+01 -0.138543D+02  0.456617D+01 -0.112176D+01
      4  -0.110927D+00  0.213887D+02 -0.116846D+02 -0.519384D+00  0.190403D+02
      5   0.430895D+00 -0.397343D+01 -0.385079D+01  0.197662D+01  0.242364D+01
      6   0.529127D+01 -0.363216D+01  0.438635D+01 -0.854622D+01 -0.103994D+02
                41            42            43            44            45 
      1   0.261414D+02 -0.799838D+01  0.547410D+01 -0.135316D+02 -0.132973D+02
      2  -0.297548D+02  0.756791D+01 -0.948661D+01  0.151131D+02  0.369757D+01
      3   0.361336D+01  0.430469D+00  0.401251D+01 -0.158146D+01  0.959969D+01
      4   0.153887D+02 -0.709933D+01 -0.121838D+01 -0.503909D+01 -0.767424D+01
      5  -0.831583D+01 -0.593698D+01  0.177061D+02 -0.787948D+01  0.423819D+01
      6   0.875152D+01  0.474480D+01 -0.192920D+02  0.166099D+02  0.247968D+00
                46            47            48            49            50 
      1   0.421769D+01 -0.545842D+02  0.806899D+01  0.204891D+02  0.855854D+01
      2  -0.285525D+01  0.438437D+02 -0.415533D+01 -0.191130D+02 -0.128047D+02
      3  -0.136244D+01  0.107404D+02 -0.391366D+01 -0.137617D+01  0.424614D+01
      4  -0.178964D+02 -0.829389D+01  0.398487D+01  0.129236D+02 -0.954883D+01
      5   0.551253D+01  0.612615D+01  0.188690D-01 -0.248109D+01  0.180354D+01
      6   0.376404D+01 -0.157252D+00  0.756539D+01  0.318167D+01  0.101160D+02
                51            52            53            54            55 
      1  -0.704762D+01 -0.438920D+01 -0.237633D+01 -0.205356D+02 -0.270514D+02
      2   0.772704D+01  0.648059D+01  0.901329D+01  0.900310D+01  0.108621D+02
      3  -0.679419D+00 -0.209140D+01 -0.663696D+01  0.115325D+02  0.161893D+02
      4   0.305614D+01  0.140449D+01  0.617620D+01  0.714955D+01  0.503425D+00
      5   0.821392D+00  0.529626D+01  0.319948D+01 -0.557051D+00 -0.169888D+01
      6   0.388253D+01  0.618263D+01  0.208783D+02 -0.517301D+01  0.338549D+01
                56            57            58            59            60 
      1  -0.411379D+02  0.718776D+01  0.116645D+02  0.171497D+02 -0.891302D+01
      2   0.357095D+02 -0.312669D+01 -0.109886D+02 -0.178034D+02  0.827519D+01
      3   0.542840D+01 -0.406107D+01 -0.675947D+00  0.653718D+00  0.637826D+00
      4  -0.463823D+02  0.773645D+01  0.128514D+02 -0.445097D+01 -0.737756D+00
      5   0.110253D+02 -0.783367D+01 -0.263817D+01 -0.227387D+01 -0.116637D+01
      6  -0.330215D+01  0.819526D+01  0.300622D+01  0.948692D+01  0.265793D+01
                61            62            63            64            65 
      1  -0.192697D+01 -0.546790D+01 -0.264583D+02  0.314916D+01 -0.122565D+01
      2   0.555620D+01  0.114249D+02  0.961787D+01 -0.373608D+00  0.252725D+01
      3  -0.362923D+01 -0.595701D+01  0.168404D+02 -0.277555D+01 -0.130160D+01
      4  -0.254325D+01  0.316214D+01 -0.448266D+01  0.930047D+01  0.999117D+01
      5  -0.246350D+01 -0.923642D+01  0.579429D+01 -0.270451D+01 -0.210350D+01
      6   0.722387D+01  0.185324D+02 -0.613003D+01 -0.172424D+01 -0.162561D+01
                66            67            68            69            70 
      1   0.329203D+00 -0.344264D+01 -0.136300D+02  0.320030D+01  0.211330D+00
      2   0.207693D+00  0.567966D+01  0.165055D+02 -0.141146D+01  0.582678D-02
      3  -0.536897D+00 -0.223701D+01 -0.287550D+01 -0.178885D+01 -0.217157D+00
      4  -0.161610D+01  0.132837D+02  0.177916D+02 -0.319803D+01 -0.260794D+01
      5   0.283193D+01 -0.336653D+01 -0.341280D+01  0.363193D+01  0.166568D+01
      6   0.155000D+01 -0.299230D+01 -0.595449D+01  0.508344D+01  0.203427D+01
                71            72            73            74            75 
      1   0.200248D+01 -0.251270D+01 -0.717905D+00  0.685360D+01 -0.859563D+00
      2  -0.199402D+01  0.224485D+01  0.983346D+01 -0.157118D+02  0.137594D+01
      3  -0.845982D-02  0.267852D+00 -0.911556D+01  0.885816D+01 -0.516377D+00
      4  -0.351893D+01  0.217835D+01 -0.214150D+02  0.214028D+02 -0.227353D+01
      5   0.618004D+00 -0.132164D+01  0.180089D+01 -0.230391D+01  0.297525D+01
      6   0.271943D+01 -0.195971D+01 -0.110084D+01  0.151881D+01 -0.290103D+01
                76            77            78            79            80 
      1   0.113730D+02 -0.280976D+02  0.336691D+01 -0.217608D+01  0.417800D+01
      2  -0.220885D+02  0.456004D+02 -0.412614D+01  0.395618D+01 -0.608629D+01
      3   0.107155D+02 -0.175027D+02  0.759235D+00 -0.178010D+01  0.190830D+01
      4   0.235519D+02 -0.322729D+02  0.357540D+01 -0.304100D+01  0.391833D+01
      5  -0.312503D+01  0.396307D+01 -0.361167D+01  0.155854D+00 -0.181878D+01
      6   0.357377D+01 -0.503957D+01  0.681847D+01  0.138720D+01  0.274883D+01
                81            82            83            84            85 
      1  -0.124553D+01 -0.537181D+01 -0.101363D+02  0.237779D+01 -0.917072D+01
      2   0.229586D+01  0.956916D+01  0.164692D+02 -0.258323D+01  0.134499D+02
      3  -0.105033D+01 -0.419735D+01 -0.633291D+01  0.205440D+00 -0.427915D+01
      4  -0.241377D+01  0.114490D+02  0.184074D+02 -0.323708D+01  0.124018D+02
      5   0.104403D+01 -0.131954D+01 -0.183368D+01  0.288507D+01 -0.139561D+01
      6  -0.180151D+01 -0.249088D+01 -0.380279D+01  0.351754D+01 -0.288411D+01
                86            87            88            89            90 
      1  -0.389799D+02  0.749236D+01  0.195637D+01  0.787232D+01 -0.230876D+01
      2   0.553473D+02 -0.828185D+01 -0.295746D+01 -0.100063D+02  0.269540D+01
      3  -0.163674D+02  0.789487D+00  0.100109D+01  0.213396D+01 -0.386647D+00
      4   0.261058D+02 -0.430022D+01 -0.308246D+01 -0.490545D+01  0.292334D+01
      5  -0.190799D+01  0.225451D+01  0.928377D+00  0.249956D+01 -0.135596D+01
      6  -0.104138D+02  0.869513D+01  0.595413D+00  0.463912D+01 -0.274940D+01
                91            92            93            94            95 
      1  -0.212241D+01  0.211661D+01 -0.127290D+02 -0.415947D+01 -0.158546D+01
      2   0.788542D+01  0.210116D+01  0.108774D+01  0.997776D+01 -0.104685D+02
      3  -0.576302D+01 -0.421777D+01  0.116412D+02 -0.581829D+01  0.120540D+02
      4  -0.353458D+01 -0.137174D+02 -0.336846D+01 -0.146589D+02  0.354160D+02
      5  -0.148158D+01 -0.430938D+01 -0.199677D+02  0.151214D+01 -0.126324D+02
      6  -0.357901D+01  0.141117D+01  0.104296D+01 -0.316613D+01  0.314606D+01
                96            97            98            99           100 
      1  -0.217650D+01 -0.651482D+00 -0.392482D+01 -0.198813D+02 -0.709796D+02
      2   0.164735D+01 -0.119432D+02  0.834357D+01  0.188581D+02  0.395256D+02
      3   0.529157D+00  0.125947D+02 -0.441875D+01  0.102322D+01  0.314540D+02
      4  -0.144910D+02 -0.600231D+01 -0.158418D+02 -0.380378D+01  0.111011D+02
      5  -0.524659D+01 -0.565374D+02  0.127768D+01  0.156681D+02  0.369733D+02
      6   0.346576D+01  0.270248D+01 -0.343691D+00 -0.126160D+01 -0.354767D+01
               101           102           103           104           105 
      1   0.744762D+01  0.273396D+02  0.394303D+01  0.290955D+02  0.834170D+01
      2  -0.331580D+01 -0.688678D+01 -0.530573D+01 -0.495769D+01  0.483959D+00
      3  -0.413182D+01 -0.204529D+02  0.136270D+01 -0.241378D+02 -0.882566D+01
      4   0.171546D+02  0.132440D+01  0.159870D+02 -0.144414D+02  0.225958D+02
      5   0.852937D+00  0.110571D+02 -0.272931D+00  0.149523D+02  0.734272D+01
      6  -0.110072D+02 -0.330447D+01 -0.626774D+01  0.385108D+01 -0.187729D+02
               106           107           108           109           110 
      1   0.376413D+01  0.803005D+01  0.197459D+02 -0.766573D+02 -0.236630D+02
      2   0.151373D+02 -0.323378D+01 -0.214889D+02  0.295530D+02  0.355772D+01
      3  -0.189015D+02 -0.479628D+01  0.174298D+01  0.471043D+02  0.201052D+02
      4   0.180108D+01  0.190320D+02  0.421069D+01 -0.402766D+02 -0.243474D+02
      5   0.374131D+02  0.163702D+01 -0.284450D+02  0.393438D+01 -0.149378D+01
      6  -0.351670D+01 -0.135954D+02 -0.687896D+01 -0.677524D+00  0.229304D+01
               111           112           113           114           115 
      1   0.327574D+01 -0.332011D+02 -0.150142D+02  0.872327D+01  0.317976D+02
      2  -0.292668D+01  0.774216D+01  0.539473D+01 -0.895300D+00 -0.141331D+02
      3  -0.349060D+00  0.254590D+02  0.961943D+01 -0.782797D+01 -0.176645D+02
      4   0.141091D+01 -0.118782D+02 -0.230650D+02  0.842598D+01  0.128553D+02
      5  -0.256184D+01 -0.190548D+01  0.604475D+01 -0.533134D+01  0.206108D+02
      6  -0.409657D+01  0.294380D+01 -0.371020D+01  0.213063D+00  0.334175D+01
               116           117           118           119           120 
      1   0.608383D+01  0.219861D+02  0.672005D+01 -0.904944D+01  0.485716D+01
      2  -0.225187D+01 -0.228450D+01  0.301609D+01  0.205814D+00 -0.131810D+01
      3  -0.383195D+01 -0.197016D+02 -0.973613D+01  0.884363D+01 -0.353906D+01
      4   0.137495D+02  0.440869D+01 -0.199023D+02  0.200476D+02 -0.831428D+00
      5   0.283566D+01  0.206267D+01  0.560547D+01 -0.395779D+00  0.963854D+01
      6  -0.157860D+01 -0.124871D+01 -0.148678D+01  0.610789D+00 -0.979812D+00
               121           122           123           124           125 
      1  -0.166406D+02 -0.214875D+01 -0.373659D+00  0.647622D+01  0.165566D+01
      2   0.303409D+01  0.192807D+02 -0.295053D+01 -0.235277D+01 -0.466024D+01
      3   0.136065D+02 -0.171320D+02  0.332419D+01 -0.412345D+01  0.300458D+01
      4   0.223274D+02 -0.478104D+02  0.756366D+01 -0.283346D+01  0.111369D+02
      5  -0.194808D+01  0.682428D+01 -0.103647D+02  0.114680D+02 -0.777511D+01
      6   0.599007D+00 -0.256603D+01  0.441475D+01 -0.239899D+01  0.599955D+01
               126           127           128           129           130 
      1   0.261663D+01  0.413504D+00  0.634020D+01 -0.849314D+01  0.104327D+02
      2  -0.633359D+00 -0.208428D+00 -0.288556D+01  0.755726D-01 -0.703279D+01
      3  -0.198327D+01 -0.205075D+00 -0.345463D+01  0.841757D+01 -0.339988D+01
      4  -0.843718D+01  0.339909D+01 -0.470413D+01  0.155099D+01  0.143327D+01
      5   0.347353D+01 -0.127624D+01 -0.864912D+00 -0.446304D+01 -0.952803D+01
      6  -0.241244D+01 -0.301876D+01  0.460282D+01 -0.174610D+01  0.390789D+00
               131           132           133           134           135 
      1  -0.154850D+02  0.871393D+01 -0.360776D+01  0.511747D+01 -0.111896D+02
      2   0.571135D+01  0.390062D+01  0.983976D+00  0.174578D+01 -0.125637D+01
      3   0.977362D+01 -0.126146D+02  0.262378D+01 -0.686324D+01  0.124460D+02
      4   0.281215D+02 -0.151594D+02 -0.102430D+01 -0.102604D+02  0.827819D+01
      5  -0.114135D+02  0.167914D+02  0.163135D+01  0.670337D+01 -0.868335D+01
      6  -0.191811D+02  0.130515D+02  0.578618D+00  0.103154D+02 -0.692870D+01
               136           137           138           139           140 
      1   0.108136D+03 -0.565303D+01 -0.189544D+02 -0.375613D+01  0.616223D+01
      2  -0.644216D+02  0.248578D+01  0.178917D+02  0.963924D+00 -0.399594D+01
      3  -0.437147D+02  0.316726D+01  0.106266D+01  0.279221D+01 -0.216630D+01
      4  -0.128359D+02  0.120070D+02  0.352988D+01  0.138394D+02 -0.100530D+01
      5  -0.610215D+02  0.393090D+01  0.292967D+02  0.208970D+01 -0.649880D+01
      6   0.501034D+01 -0.425582D+01 -0.217460D+01 -0.433671D+01  0.162616D+00
               141           142           143           144           145 
      1  -0.204653D+00 -0.769885D+01 -0.100319D+01  0.831203D+01 -0.210205D+01
      2  -0.568693D-01  0.823213D+01 -0.151026D-01 -0.667321D+01 -0.186211D+00
      3   0.261522D+00 -0.533276D+00  0.101829D+01 -0.163882D+01  0.228827D+01
      4  -0.519301D+01  0.183510D+00 -0.299784D+01 -0.817315D+00 -0.333355D+01
      5  -0.788747D+00  0.164719D+02 -0.204984D+00 -0.639546D+01 -0.230227D+01
      6   0.402615D+01 -0.753182D+00  0.250451D+01  0.102350D+01  0.430958D+01
               146           147           148           149           150 
      1  -0.100835D+02 -0.152834D+02 -0.900116D+01 -0.190552D+02 -0.168318D+02
      2   0.379858D+01  0.129140D+01  0.594821D+01  0.800059D+01 -0.398043D+00
      3   0.628495D+01  0.139920D+02  0.305295D+01  0.110546D+02  0.172299D+02
      4  -0.509138D+01 -0.313321D+01  0.218905D+01 -0.188422D+02 -0.178108D+02
      5  -0.795260D+00 -0.639387D+01  0.770151D+01 -0.140161D+02 -0.206868D+02
      6   0.690215D+01  0.623312D+01  0.363657D+00  0.182407D+02  0.190304D+02
               151           152           153           154           155 
      1  -0.644455D+01 -0.124757D+02 -0.243606D+02  0.165625D+03  0.348967D+02
      2   0.255613D+01 -0.303779D-01 -0.334065D+01 -0.735727D+02 -0.976520D+01
      3   0.388842D+01  0.125061D+02  0.277013D+02 -0.920521D+02 -0.251315D+02
      4   0.197951D+01 -0.134726D+02 -0.143533D+02  0.597037D+02  0.433669D+02
      5   0.396663D+01 -0.124959D+02 -0.225516D+02  0.105541D+02  0.454240D+01
      6   0.334212D+00  0.148587D+02  0.174627D+02  0.963862D-01  0.952812D+00
               156           157           158           159           160 
      1  -0.600719D+01  0.483847D+02  0.330785D+02 -0.401902D+01 -0.869775D+01
      2  -0.105507D+01 -0.112441D+02 -0.199447D+01 -0.798017D+00  0.467977D+00
      3   0.706226D+01 -0.371405D+02 -0.310840D+02  0.481704D+01  0.822977D+01
      4   0.877376D+00  0.602402D+02  0.505859D+02 -0.495308D+01 -0.550913D+01
      5   0.318340D+02  0.166846D+01 -0.197366D+00  0.149458D+02  0.300406D+02
      6   0.564876D+01  0.350047D+01  0.324475D+01  0.669887D+01  0.642529D+01
               161           162           163           164           165 
      1  -0.355053D+01  0.178187D+02  0.419114D+02  0.131081D+02  0.109962D+02
      2  -0.680027D+00 -0.103856D+02 -0.272670D+02 -0.492112D+01 -0.843540D+01
      3   0.423056D+01 -0.743305D+01 -0.146444D+02 -0.818701D+01 -0.256083D+01
      4  -0.873915D+01  0.112073D+02  0.223034D+02  0.107972D+02  0.199114D+01
      5   0.101727D+02 -0.796250D+01  0.258515D+02  0.339047D+01  0.175533D+02
      6   0.553147D+01 -0.492188D+00  0.952228D+01  0.158409D+01  0.651685D+00
               166           167           168           169           170 
      1   0.185072D+02 -0.544276D+01 -0.813365D+01 -0.591519D+01 -0.614423D+01
      2  -0.951246D+01  0.274420D+01  0.141802D+01 -0.204650D+01  0.166780D+01
      3  -0.899471D+01  0.269856D+01  0.671563D+01  0.796169D+01  0.447644D+01
      4   0.118110D+02  0.710406D+01  0.110609D+02 -0.269051D+01  0.289048D+01
      5   0.110271D+02  0.119269D+02  0.109790D+02  0.159816D+02  0.408340D+01
      6   0.273813D+01  0.663991D+01  0.120759D+02  0.205775D+00  0.102144D+02
               171           172           173           174           175 
      1  -0.281700D+02 -0.432849D+02 -0.846574D+01  0.836579D+01 -0.198792D+02
      2  -0.153018D+02  0.242976D+02  0.387102D+01  0.403186D+01  0.131683D+02
      3   0.434718D+02  0.189872D+02  0.459472D+01 -0.123977D+02  0.671088D+01
      4   0.253880D+01 -0.194989D+02 -0.781339D+01 -0.196550D+01 -0.102874D+02
      5   0.444102D+02 -0.205310D+02 -0.459891D+01 -0.140601D+02 -0.119340D+02
      6   0.781660D+01 -0.769700D+01 -0.425055D+01 -0.252946D+01 -0.408636D+01
               176           177           178           179           180 
      1  -0.844926D+01  0.197670D+01 -0.337740D+01  0.483553D+00 -0.109897D+02
      2   0.462815D+01  0.336578D+01  0.891562D+01  0.735212D+00  0.391459D+01
      3   0.382111D+01 -0.534248D+01 -0.553822D+01 -0.121876D+01  0.707512D+01
      4  -0.415095D+01  0.109831D+01 -0.572353D+01 -0.348699D+00 -0.416432D+01
      5   0.134134D+00 -0.883033D+01 -0.103374D+02 -0.195981D+01 -0.850842D+00
      6  -0.242313D+01  0.179650D+01 -0.282368D+01  0.131260D+01 -0.235920D+01
               181           182           183           184           185 
      1   0.384437D+02  0.555986D+02 -0.121587D+02 -0.366852D+02  0.254400D+02
      2  -0.245574D+02 -0.427107D+02  0.616135D+01  0.239997D+02 -0.255935D+02
      3  -0.138863D+02 -0.128879D+02  0.599739D+01  0.126855D+02  0.153538D+00
      4   0.151047D+02  0.295139D+02 -0.691102D+01  0.174687D+02  0.259843D+02
      5  -0.273652D+00 -0.973050D+01  0.114082D+02  0.240512D+01 -0.105004D+02
      6  -0.156781D+01  0.779791D+01 -0.880895D+01 -0.655065D+01  0.887394D+01
               186           187           188           189           190 
      1  -0.300404D+01  0.679540D+01 -0.103131D+02  0.144004D+01  0.112814D+03
      2   0.457173D+01 -0.127123D+02  0.142198D+02 -0.499820D+01 -0.616213D+02
      3  -0.156770D+01  0.591693D+01 -0.390671D+01  0.355816D+01 -0.511930D+02
      4  -0.108585D+02 -0.237098D+01 -0.130194D+02 -0.196886D+02 -0.147324D+02
      5  -0.410271D+01  0.288795D+02 -0.175467D+02  0.770136D+01  0.502972D+01
      6   0.358851D+01 -0.219894D+02  0.155910D+02 -0.349214D+00 -0.233403D+00
               191           192           193           194           195 
      1  -0.273710D+02 -0.928429D+00 -0.818163D+02 -0.400912D+02  0.165262D+02
      2   0.104081D+02 -0.598688D+00  0.443871D+02  0.429455D+02 -0.158638D+02
      3   0.169629D+02  0.152712D+01  0.374292D+02 -0.285429D+01 -0.662355D+00
      4   0.102660D+02 -0.136872D+01 -0.390385D+02 -0.535920D+02  0.103094D+02
      5  -0.141658D+01  0.124600D+01  0.171338D+02  0.964194D+01 -0.635259D+01
      6   0.236034D+01 -0.175380D+01  0.185188D+01 -0.109658D+02 -0.164182D+01
               196           197           198           199           200 
      1   0.138724D+02  0.119034D+02  0.198224D+02 -0.114833D+03 -0.619926D+01
      2  -0.865129D+01 -0.102602D+02 -0.176694D+02  0.545250D+02  0.123157D+02
      3  -0.522114D+01 -0.164324D+01 -0.215305D+01  0.603083D+02 -0.611642D+01
      4   0.156905D+02  0.565806D+01 -0.876397D+01 -0.119535D+02 -0.239858D+02
      5   0.428998D+02 -0.146300D+02  0.214423D+01  0.387946D+01  0.101581D+02
      6  -0.479002D+01  0.647955D+01  0.301056D+01  0.713930D+01 -0.473765D+01
               201           202           203           204           205 
      1   0.821348D+01  0.109625D+03  0.573634D+01 -0.960888D+01 -0.126512D+02
      2  -0.561056D+01 -0.677006D+02 -0.153713D+02  0.817870D+01  0.988529D+01
      3  -0.260292D+01 -0.419249D+02  0.963501D+01  0.143018D+01  0.276596D+01
      4   0.815798D+01  0.137331D+02  0.212753D+02  0.101093D+01  0.773755D+00
      5   0.487587D+01 -0.368118D+01  0.163925D+01  0.924224D+01  0.557856D+01
      6   0.147618D+01  0.319373D+01  0.918399D+01  0.411439D+01  0.289180D+01
               206           207           208           209           210 
      1  -0.718885D+00 -0.118834D+02  0.170558D+02 -0.377538D+01  0.257751D+01
      2   0.394832D+01 -0.484958D+01 -0.100089D+02  0.142737D+01  0.519567D+00
      3  -0.322944D+01  0.167329D+02 -0.704685D+01  0.234801D+01 -0.309707D+01
      4   0.648916D+01  0.190593D+02 -0.176336D+02  0.129727D+02  0.269740D+01
      5   0.225498D+02 -0.840719D+01  0.213634D+01  0.195931D+01  0.225985D+02
      6   0.823354D+01  0.758683D+00  0.177855D+01 -0.784960D+00  0.607039D+00
               211           212           213           214           215 
      1  -0.156720D+02  0.234969D+01  0.245515D+01  0.316259D+01 -0.443791D+00
      2   0.619320D+01  0.150827D+01  0.194785D+01 -0.134193D+01  0.119455D+01
      3   0.947884D+01 -0.385796D+01 -0.440300D+01 -0.182066D+01 -0.750755D+00
      4   0.280114D+02 -0.233608D+02  0.375699D+01 -0.235213D+01  0.130280D+01
      5  -0.566371D+00  0.513902D+01  0.926190D+01  0.123941D+02 -0.728004D+01
      6  -0.649778D+00  0.263922D+01  0.814438D+01 -0.237226D+01  0.430698D+01
               216           217           218           219           220 
      1   0.256984D+01 -0.790126D+02  0.225082D+02  0.311632D+01  0.372630D+02
      2  -0.253611D+01  0.436685D+02 -0.112048D+02 -0.109409D+01 -0.182251D+02
      3  -0.337388D-01  0.353442D+02 -0.113034D+02 -0.202223D+01 -0.190379D+02
      4  -0.744441D+01  0.265880D+02  0.165640D+02 -0.632791D+01 -0.944439D+01
      5  -0.182679D+01  0.203832D+01 -0.623845D+01  0.885631D+01 -0.774822D+01
      6  -0.181312D+01 -0.329685D+01 -0.108872D+01  0.230688D+01 -0.302699D+01
               221           222           223           224           225 
      1   0.753477D+01 -0.906271D+01 -0.142315D+01 -0.518549D+01  0.158507D+02
      2  -0.596011D+01 -0.399096D+01 -0.338989D+01 -0.312685D+01 -0.631916D+01
      3  -0.157467D+01  0.130537D+02  0.481304D+01  0.831235D+01 -0.953151D+01
      4  -0.960378D+01 -0.182778D+02 -0.579290D+01 -0.153126D+02 -0.361502D+02
      5  -0.186512D+02 -0.587802D+02 -0.961120D+01 -0.352880D+02  0.239409D+02
      6  -0.433218D+01 -0.147281D+02 -0.766184D+01 -0.101509D+02  0.728361D+01
               226           227           228           229           230 
      1  -0.928793D+01 -0.177729D+02  0.416796D+01 -0.102941D+02 -0.459299D+02
      2   0.952812D+01  0.190542D+02 -0.304232D+01  0.113707D+02  0.547312D+02
      3  -0.240194D+00 -0.128138D+01 -0.112564D+01 -0.107659D+01 -0.880135D+01
      4   0.411663D+01  0.639696D+01 -0.102147D+01  0.322990D+01 -0.377884D+01
      5  -0.485829D+00 -0.569973D+00  0.103301D+01  0.140751D-01  0.209779D+01
      6  -0.267587D+01 -0.481789D+01  0.364665D+01 -0.295239D+01 -0.131248D+02
               231           232           233           234           235 
      1   0.923474D+01  0.262944D+01  0.952268D+01 -0.232753D+01  0.177721D+02
      2  -0.808275D+01 -0.293690D+01 -0.989526D+01  0.250446D+01  0.126935D+01
      3  -0.115199D+01  0.307463D+00  0.372581D+00 -0.176924D+00 -0.190414D+02
      4   0.983656D+00 -0.478717D+00  0.682732D+00  0.958901D+00 -0.370070D+02
      5  -0.151507D+01  0.208610D+01  0.473356D-01 -0.210678D+00  0.606941D+01
      6   0.901006D+01 -0.600791D-01  0.530545D+01 -0.281495D+01 -0.276148D+01
               236           237           238           239           240 
      1  -0.967951D+01  0.102862D+01 -0.745567D+01 -0.391266D+01  0.235295D+00
      2  -0.716394D+01  0.319729D-01 -0.131471D+02  0.306377D+02 -0.173343D+01
      3   0.168434D+02 -0.106059D+01  0.206028D+02 -0.267250D+02  0.149813D+01
      4   0.365365D+02 -0.377913D+01  0.434025D+02 -0.597924D+02  0.671478D+01
      5  -0.529649D+01  0.559500D+01 -0.784234D+01  0.921561D+01 -0.768693D+01
      6   0.295182D+01 -0.366980D+01  0.584796D+01 -0.762478D+01  0.728431D+01
               241           242           243           244           245 
      1  -0.376886D-01  0.819973D+00 -0.171848D+01  0.200823D+02  0.120869D+02
      2   0.291907D+01 -0.349794D+01  0.225826D+01 -0.811333D+01 -0.388977D+01
      3  -0.288138D+01  0.267797D+01 -0.539780D+00 -0.119690D+02 -0.819710D+01
      4  -0.537725D+01  0.726753D+01 -0.403414D+01  0.214144D+02  0.151442D+02
      5   0.288639D+00 -0.353827D+01  0.197265D+01 -0.472045D+01 -0.300714D+01
      6   0.232271D+00  0.378699D+01 -0.197242D+01 -0.112706D+01 -0.116044D+01
               246           247           248           249           250 
      1  -0.324933D+01  0.137016D+02 -0.516037D+00 -0.546646D+00 -0.377949D+01
      2   0.158487D+01 -0.114558D+01  0.114480D+02 -0.405106D+00  0.150376D+01
      3   0.166446D+01 -0.125560D+02 -0.109319D+02  0.951752D+00  0.227573D+01
      4  -0.368222D+01  0.254031D+02  0.357393D+02 -0.703184D+01 -0.577234D+01
      5   0.284956D+01 -0.477402D+01 -0.568203D+01  0.557836D+01  0.215266D+01
      6   0.120768D+01 -0.230798D+01 -0.398695D+01  0.456355D+01  0.229402D+01
               251           252           253           254           255 
      1  -0.102306D+01 -0.523676D+00 -0.204957D+01  0.186457D+00 -0.111802D+02
      2  -0.111208D+01  0.141460D+01  0.131184D+00 -0.525810D+00  0.332795D+01
      3   0.213514D+01 -0.890923D+00  0.191839D+01  0.339352D+00  0.785229D+01
      4  -0.749672D+01  0.187777D+01 -0.321494D+01 -0.287005D+01 -0.482130D+00
      5   0.359428D+00 -0.107560D+01 -0.648262D+01  0.219915D-01 -0.667103D+01
      6   0.171987D+01 -0.170488D+01 -0.120824D+01  0.998133D+00 -0.268089D+01
               256           257           258           259           260 
      1   0.418592D+01  0.282463D+00  0.123574D+01 -0.298202D+02 -0.263354D+01
      2  -0.236347D+01  0.692369D+00  0.617781D+00  0.197280D+02  0.268687D+01
      3  -0.182245D+01 -0.974832D+00 -0.185352D+01  0.100922D+02 -0.533311D-01
      4   0.148376D+02  0.170720D+02 -0.155472D+02 -0.166471D+02 -0.166743D+02
      5  -0.996653D+01 -0.143613D+02  0.260332D+02  0.296306D+02  0.217436D+02
      6  -0.356512D+01 -0.630683D+01  0.107343D+02  0.763034D+01  0.943047D+01
               261           262           263           264           265 
      1  -0.432532D+01  0.196751D+03 -0.143229D+02 -0.769649D+01 -0.388770D+02
      2  -0.110333D+02 -0.103508D+03  0.838269D+01  0.497677D+01  0.213881D+02
      3   0.153586D+02 -0.932432D+02  0.594026D+01  0.271972D+01  0.174889D+02
      4   0.234680D+02 -0.496614D+01  0.156998D+02  0.904829D+00  0.193903D+02
      5  -0.630840D+02 -0.114709D+02  0.151953D+01  0.178579D+02  0.303437D+01
      6  -0.153016D+02  0.179647D+01 -0.866184D+00  0.673999D+00 -0.132369D+01
               266           267           268           269           270 
      1   0.179320D+02  0.177942D+01 -0.318282D+01  0.545453D+00  0.143664D+02
      2  -0.880894D+01 -0.836349D+00  0.264385D+01  0.150254D+00 -0.870546D+01
      3  -0.912308D+01 -0.943075D+00  0.538978D+00 -0.695707D+00 -0.566098D+01
      4  -0.963726D+01  0.599207D+00  0.917795D+00  0.148712D+01  0.176915D+01
      5   0.276938D+00 -0.255688D+01  0.212737D+02  0.988792D+00 -0.387430D+01
      6   0.102929D+01  0.140801D+01  0.416569D+00  0.186047D+01 -0.336486D+00
               271           272           273           274           275 
      1   0.594974D+01  0.474844D+01  0.893287D+01  0.183778D+02  0.657322D+01
      2  -0.212081D+01 -0.258122D+01 -0.466822D+01 -0.541535D+01  0.566542D+01
      3  -0.382893D+01 -0.216723D+01 -0.426465D+01 -0.129624D+02 -0.122386D+02
      4   0.301988D+01  0.965496D+00  0.249964D+01  0.301121D+02  0.404770D+02
      5   0.883642D+01  0.158766D+01 -0.362873D+01  0.135908D+02  0.234101D+02
      6   0.209943D+01 -0.546130D-01 -0.179446D+01  0.504292D+01  0.825661D+01
               276           277           278           279 
      1   0.219128D+01  0.314619D+02  0.635060D+01 -0.551719D+00
      2   0.342882D+01 -0.142549D+02  0.485199D+00 -0.859085D+00
      3  -0.562010D+01 -0.172071D+02 -0.683580D+01  0.141080D+01
      4   0.236513D+02  0.226986D+02  0.263947D+02  0.248487D+02
      5   0.278160D+02  0.196785D+02  0.243370D+02  0.348234D+02
      6   0.920882D+01  0.687856D+01  0.889351D+01  0.980011D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.203986D+01      0.518480D+01      0.172946D+02
   y          0.124898D+01      0.317459D+01      0.105893D+02
   z          0.279794D+00      0.711167D+00      0.237220D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.269967D+03      0.400049D+02      0.445115D+02
   yx        -0.874666D+01     -0.129612D+01     -0.144213D+01
   yy         0.163260D+03      0.241926D+02      0.269179D+02
   zx        -0.992469D+01     -0.147069D+01     -0.163636D+01
   zy        -0.770018D+01     -0.114105D+01     -0.126959D+01
   zz         0.112642D+03      0.166918D+02      0.185721D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.194196D+03      0.287769D+02      0.320187D+02
   aniso      0.153052D+03      0.226799D+02      0.252348D+02
   xx         0.289118D+03      0.428429D+02      0.476692D+02
   yx        -0.116291D+02     -0.172326D+01     -0.191738D+01
   yy         0.174137D+03      0.258045D+02      0.287114D+02
   zx        -0.982481D+01     -0.145589D+01     -0.161989D+01
   zy        -0.824564D+01     -0.122188D+01     -0.135952D+01
   zz         0.119333D+03      0.176834D+02      0.196754D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          0.36125389         -1.41816607          0.38114616
     6          0.33537355          0.10439936          2.60215662
     6         -0.74473635         -0.48473850         -1.85458977
     6         -1.84788188          1.87242791         -1.95451860
     6         -1.85617608          3.37046125          0.25640695
     6         -0.80238746          2.51602034          2.46521111
     6          1.50757576         -3.83826483          0.50840758
     1         -0.70548700         -1.66899112         -3.52681280
     1         -2.71980433          5.22583667          0.19444790
     1         -0.83238018          3.69427354          4.13872995
     6         -3.06978166          2.83128605         -4.35832183
     6         -5.50723755          1.41894889         -5.01119237
     6         -1.26410705          2.87514876         -6.62690359
     1         -3.54284398          4.82613786         -4.06114158
     1         -5.12520359         -0.57863706         -5.34009455
     1         -6.35551079          2.19350511         -6.71679318
     1         -6.84621825          1.57249724         -3.45338823
     8         -1.92144060          2.57213029         -8.77187145
     8          1.17958667          3.40782598         -6.09285575
     1          1.42811583          3.39760480         -4.27866804
     6          2.55994471         -4.69700004          2.69697929
     6          2.53035262         -3.17759881          4.90482844
     6          1.44023797         -0.82133312          4.85845617
     8          3.63768205         -4.24871136          6.95464317
     6          3.69006929         -2.84861559          9.23896650
     1          1.53839465         -5.00695397         -1.17125557
     1          3.43762807         -6.53934371          2.81107885
     1          1.39938037          0.36530291          6.51867992
     1          4.73574033         -1.08085059          9.00807832
     1          4.64842044         -4.03782764         10.61233927
     1          1.77813230         -2.43037751          9.90326749

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.240816D+01      0.612094D+01      0.204172D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.240816D+01      0.612094D+01      0.204172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.181956D+03      0.269631D+02      0.300005D+02
   aniso      0.141608D+03      0.209841D+02      0.233480D+02
   xx         0.143884D+03      0.213215D+02      0.237233D+02
   yx        -0.390564D+02     -0.578757D+01     -0.643954D+01
   yy         0.173411D+03      0.256968D+02      0.285916D+02
   zx         0.490059D+02      0.726192D+01      0.807998D+01
   zy        -0.301572D+02     -0.446884D+01     -0.497226D+01
   zz         0.228573D+03      0.338710D+02      0.376866D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.194196D+03      0.287769D+02      0.320187D+02
   aniso      0.153052D+03      0.226799D+02      0.252348D+02
   xx         0.153200D+03      0.227020D+02      0.252593D+02
   yx        -0.430325D+02     -0.637676D+01     -0.709510D+01
   yy         0.186637D+03      0.276567D+02      0.307722D+02
   zx         0.525453D+02      0.778641D+01      0.866354D+01
   zy        -0.338782D+02     -0.502022D+01     -0.558575D+01
   zz         0.242752D+03      0.359722D+02      0.400244D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U23-21\Freq\RwB97XD\Gen\C14H14O3\PIERPA\12-Aug-2021\0\\#P
  wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA G
 uess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.534503,-0
 .540241,0.250726\C,1.208047,0.686254,-0.018994\C,-0.871111,-0.548582,0
 .352837\C,-1.61536,0.600511,0.194237\C,-0.937903,1.810722,-0.077253\C,
 0.429321,1.854269,-0.179299\C,1.312272,-1.716102,0.408925\H,-1.366601,
 -1.491361,0.557454\H,-1.515348,2.718805,-0.203162\H,0.928391,2.793066,
 -0.386339\C,-3.123514,0.580399,0.330991\C,-3.582702,0.341624,1.771049\
 C,-3.808238,-0.400692,-0.62991\H,-3.495206,1.561723,0.013814\H,-3.2418
 65,-0.630545,2.127829\H,-4.668885,0.361293,1.833837\H,-3.169487,1.1097
 26,2.424876\O,-4.830838,-0.974186,-0.383978\O,-3.217917,-0.549143,-1.8
 38643\H,-2.355614,-0.1071,-1.835698\C,2.671053,-1.679537,0.30745\C,3.3
 38655,-0.457152,0.039453\C,2.621063,0.703564,-0.121448\O,4.689861,-0.5
 55418,-0.036901\C,5.432086,0.622962,-0.304199\H,0.808612,-2.652916,0.6
 12592\H,3.271812,-2.571003,0.426688\H,3.110374,1.644342,-0.326736\H,5.
 158044,1.051824,-1.272282\H,6.47652,0.322638,-0.322951\H,5.281369,1.37
 1486,0.478872\\Version=ES64L-G16RevA.03\State=1-A\HF=-767.9724313\RMSD
 =5.543e-09\RMSF=1.006e-05\ZeroPoint=0.2505554\Thermal=0.265801\Dipole=
 2.0398559,1.2489784,0.2797944\DipoleDeriv=-0.1521,-0.0266312,0.0162445
 ,-0.1473533,-0.129219,0.0354592,0.0443963,0.0229432,-0.0023967,0.44954
 57,-0.0696909,-0.0166847,-0.0542365,-0.0952724,0.0224638,-0.019145,0.0
 248625,0.0078981,0.0958147,-0.0479419,0.0072275,0.0145212,0.0663112,-0
 .0464725,-0.0266624,-0.0343918,-0.1005174,0.135423,0.0943529,-0.050843
 9,0.1179398,-0.1421469,-0.0081738,-0.2140328,-0.0108938,-0.1617107,-0.
 1276756,0.0066895,0.0027853,0.030711,0.1149734,-0.0315475,-0.0283049,-
 0.0398129,-0.1274169,-0.0941047,0.0176558,-0.0038112,0.0748594,0.12481
 79,-0.0506565,-0.0075352,-0.0445092,-0.1112464,0.1540488,-0.0542478,-0
 .0095293,-0.0707573,0.1552722,-0.0442356,-0.0113084,-0.043175,-0.10258
 65,0.032435,-0.0398515,0.0112781,-0.0900534,-0.0250212,0.0315897,0.025
 1211,0.0296835,0.1037232,0.0008093,0.0928559,-0.0096096,0.0834937,-0.0
 290746,0.0214403,-0.0054593,0.0207936,0.1175785,0.0057787,-0.0847285,0
 .0224819,-0.0457359,-0.0470929,0.033534,0.0142267,0.036674,0.1120772,0
 .1646965,-0.1124295,-0.0430831,-0.2520923,-0.0070464,-0.1512784,0.0612
 23,-0.0931631,0.038023,-0.114477,-0.0048142,0.0237953,0.0089606,0.0926
 917,0.0114112,-0.0511266,0.039698,0.0544127,1.4542556,0.4606277,-0.342
 1779,0.7663806,0.5939805,0.2599556,-0.3553949,0.138977,1.2519465,0.005
 3039,-0.0101953,-0.0172056,0.0527996,-0.0574593,0.0494165,-0.0416215,0
 .0407472,-0.0098389,0.054406,0.07166,-0.0180898,0.0536397,-0.0654832,0
 .0636224,-0.0022106,0.0045212,0.0183696,-0.1323283,0.0193661,0.054797,
 -0.0049514,0.0857282,0.0220007,0.0723708,0.0045249,0.0502555,0.0647994
 ,-0.0671499,-0.0589321,-0.0454997,-0.0339981,-0.0909794,-0.0467344,-0.
 051643,-0.031807,-1.2108515,-0.2868223,0.1541204,-0.5882225,-0.5278802
 ,0.0003842,0.0203599,-0.0475941,-0.5577161,-0.7445361,-0.0548589,0.226
 5255,-0.0634049,-0.3220542,-0.154788,0.3417758,-0.0165759,-1.0791929,0
 .3627681,-0.0177198,0.0374148,0.0479764,0.1959678,0.0132895,0.2094253,
 0.0067527,0.3773251,-0.3560229,0.0060113,0.0118943,-0.2028032,0.078492
 ,-0.0264264,0.0521004,-0.0409224,-0.1416843,1.9647236,0.006153,-0.1273
 765,-0.1664764,0.1201002,0.0048626,-0.1002123,-0.0057957,0.0970941,-0.
 5088041,0.0128824,0.0180958,0.4131732,-0.0773048,-0.0449147,-0.0519996
 ,-0.0189978,-0.1719527,-2.2183087,-0.0854562,0.1470495,-0.3305169,-0.4
 803971,0.0656542,0.1975464,0.0491298,-0.2668673,0.7102012,0.1439659,-0
 .0523735,0.6665853,0.4770746,-0.0734828,-0.1487113,-0.0390268,0.335773
 1,0.0240576,-0.0828667,0.0222029,-0.0331354,-0.032404,0.0302904,0.0137
 419,0.0331297,0.1123022,0.0305707,0.0641399,-0.0043788,0.0611172,0.000
 3041,0.0209278,-0.0031613,0.0204997,0.1350928,0.033898,-0.0259409,0.01
 16713,-0.0948445,-0.0251941,0.0359095,0.0241112,0.0314203,0.1294572,0.
 0284558,0.0275783,-0.0841087,-0.1233855,-0.0064717,0.0533693,0.0178948
 ,0.06455,-0.1022153,-0.1503233,0.0058118,0.0155188,0.0540061,0.0534628
 ,0.0027988,0.0070117,0.0062049,0.0882252,0.0375403,0.0415952,0.0551017
 ,-0.1326948,-0.0556565,-0.0554241,0.0123151,-0.0886108,-0.0624048\Pola
 r=269.9667241,-8.7466592,163.2596854,-9.9246852,-7.7001848,112.6418117
 \Quadrupole=-6.3109596,6.804765,-0.4938054,-3.9457669,-5.834387,-3.243
 9502\PG=C01 [X(C14H14O3)]\NImag=0\\0.68647468,-0.02658117,0.62816223,-
 0.03231926,-0.08327086,0.17697008,-0.16425320,-0.04801575,0.01479727,0
 .67610176,-0.04216195,-0.22262119,0.02916022,-0.02742549,0.63123853,0.
 01384930,0.02972677,-0.08387949,-0.03050614,-0.08315992,0.18211901,-0.
 28768482,-0.00381182,0.01687045,-0.01223058,-0.05356866,0.01085885,0.6
 6079542,-0.03418799,-0.11195142,0.01105420,-0.03732903,0.02325623,-0.0
 0054804,-0.00199349,0.71713051,0.02318991,0.00928278,-0.06756082,0.008
 15022,-0.00001807,0.00511370,-0.03649405,-0.10480912,0.16128233,-0.033
 25590,0.03240801,-0.00356623,0.00509064,0.00141494,-0.00077988,-0.1870
 2752,0.12814169,-0.01448627,0.62061393,0.06839369,0.00717755,-0.004451
 13,0.01852195,-0.04818639,0.00645085,0.07208517,-0.28196030,0.03442186
 ,-0.03347503,0.64730448,-0.01091516,-0.00302295,0.00809747,-0.00401235
 ,0.00805198,-0.00674545,-0.00198704,0.03036880,-0.07082468,-0.02584384
 ,-0.08151668,0.19517065,-0.03988384,-0.00774335,0.00387979,-0.05101960
 ,0.05607969,-0.00665878,0.05402464,-0.01772865,0.00060244,-0.15392394,
 -0.02991657,0.01329364,0.71778415,-0.02806926,-0.00338073,0.00157372,0
 .02146557,0.02843849,-0.00590307,0.02270493,-0.06119115,0.01180351,-0.
 09404143,-0.23567019,0.03850191,-0.05456908,0.65782167,0.00682258,0.00
 027219,-0.00574612,-0.00036942,-0.00753334,0.00627489,-0.00672321,0.01
 358176,0.00676355,0.02362941,0.03450282,-0.07073644,-0.03198312,-0.093
 42868,0.14861260,0.05296953,0.00510670,-0.00418611,-0.14784902,0.05368
 881,-0.00403037,-0.04223652,0.02630911,-0.00272074,-0.02558898,-0.0729
 8112,0.01497426,-0.37429850,0.02261583,0.01896468,0.71969707,-0.008735
 60,-0.03982108,0.00907165,0.08402196,-0.24415258,0.02688409,0.01800730
 ,-0.01287696,0.00048578,-0.03094005,0.02309015,-0.00004537,-0.03569420
 ,-0.12669763,0.01459561,0.04057107,0.66454793,-0.00158764,0.00809174,0
 .00501172,-0.00965869,0.02895819,-0.07020264,-0.00072856,0.00017970,-0
 .00303621,0.00772512,0.00156961,0.00566607,0.02859608,0.01120268,-0.06
 108717,-0.04824717,-0.10086159,0.15114694,-0.14174684,0.05317479,-0.00
 435928,0.04777476,0.00340214,-0.00346420,-0.05071879,0.04428138,-0.004
 62405,-0.00157104,-0.02282406,0.00518192,0.01173005,0.01000628,-0.0024
 9273,-0.01212680,0.00280864,0.00061296,0.73946187,0.07865178,-0.239244
 80,0.02604542,-0.00869467,-0.04033512,0.00916190,0.02589710,-0.0033694
 1,-0.00042521,-0.00474718,0.01621331,-0.00185153,-0.00938292,-0.007021
 13,0.00155990,0.00352101,-0.00709265,0.00187800,0.04511213,0.65970476,
 -0.00896359,0.02777375,-0.06974351,-0.00116466,0.00846436,0.00565654,-
 0.00085391,-0.00203106,0.00343231,0.00128228,-0.00016832,0.00627557,0.
 00078444,0.00039363,-0.00100079,0.00050696,0.00188783,0.00400520,-0.05
 043972,-0.09854919,0.15299599,-0.01100325,-0.02857367,0.00626149,-0.00
 528751,0.00176911,0.00045353,-0.11623727,-0.10639553,0.02438817,0.0118
 8233,0.01483453,-0.00316486,-0.00151430,0.00327954,0.00006719,-0.00066
 557,0.00058403,-0.00011663,0.00148528,-0.00183448,-0.00003193,0.120969
 85,0.00017120,0.00144554,0.00036083,0.00064736,0.00160175,0.00066602,-
 0.10635968,-0.26164077,0.04823494,-0.01417100,-0.01982975,0.00534640,0
 .00437769,-0.00227769,0.00146810,0.00042834,0.00031098,-0.00022423,0.0
 0153604,0.00077375,-0.00084510,0.11528081,0.27934859,0.00110408,0.0023
 5913,0.00311742,0.00061392,0.00056862,0.00536266,0.02465886,0.04763576
 ,-0.04750350,0.00156694,0.00351194,0.00332214,-0.00020449,0.00163377,0
 .00708517,-0.00010470,-0.00022529,-0.00072840,-0.00062891,-0.00062180,
 -0.00316741,-0.02736185,-0.05438282,0.03690869,-0.00068876,-0.00031985
 ,0.00003391,-0.00524862,-0.00183405,0.00131641,-0.00080669,-0.00304030
 ,0.00099384,0.00893274,-0.01217651,0.00170611,-0.13500147,0.12178864,-
 0.01545590,-0.01297353,0.02856676,-0.00407611,0.00038172,-0.00011660,-
 0.00005056,0.00049060,-0.00068637,0.00015558,0.14313866,-0.00083821,0.
 00027467,-0.00018050,-0.00107365,0.00187540,0.00138764,-0.00391055,-0.
 00321317,0.00174868,0.01619130,-0.01935267,0.00274526,0.12149182,-0.25
 042860,0.03086024,-0.00185362,0.00420981,-0.00018673,0.00017883,-0.000
 08102,-0.00011981,0.00088198,-0.00100884,0.00020120,-0.13193592,0.2653
 7982,0.00009725,-0.00021301,-0.00096123,0.00115322,0.00144373,0.008709
 17,0.00114013,0.00163931,0.00461729,-0.00351492,0.00500985,0.00174511,
 -0.01521875,0.03080237,-0.03963152,0.00137784,-0.00222087,0.00268632,-
 0.00008798,-0.00010174,-0.00063902,-0.00015839,0.00029868,0.00033659,0
 .01596078,-0.03475911,0.03007413,-0.00147500,0.00276329,-0.00005171,0.
 01052417,0.01487443,-0.00321345,-0.00068363,0.00070019,-0.00014555,-0.
 00512635,0.00157010,0.00065760,-0.01051204,-0.02957332,0.00638082,-0.1
 1610454,-0.10822023,0.02544347,0.00033616,0.00083889,-0.00017251,0.000
 06421,-0.00012414,-0.00006314,0.00099427,0.00024809,-0.00043216,0.1212
 2102,0.00417614,-0.00206014,0.00108984,-0.01428323,-0.01952967,0.00515
 019,0.00092476,0.00008016,-0.00024015,0.00039310,0.00223664,0.00103984
 ,0.00108609,0.00253079,-0.00006401,-0.10838990,-0.26470194,0.04979684,
 -0.00125926,-0.00079238,0.00021466,-0.00012092,-0.00008513,-0.00017827
 ,-0.00038853,0.00070592,-0.00094122,0.11766063,0.28039129,-0.00029544,
 0.00117659,0.00517454,0.00213905,0.00312821,0.00243896,-0.00018205,-0.
 00019517,-0.00082996,0.00075805,0.00099591,0.00800962,0.00067632,0.002
 09408,0.00225364,0.02555876,0.04979115,-0.04545601,0.00020858,0.000075
 97,-0.00008472,-0.00006564,-0.00017795,-0.00107046,-0.00031465,-0.0009
 8641,-0.00437833,-0.02830803,-0.05523384,0.03620654,0.00312289,0.00155
 648,0.00035377,-0.00122877,-0.00012429,-0.00017980,-0.02431766,0.00658
 412,0.00097750,-0.18353078,-0.00300756,0.00843748,-0.02190187,-0.00520
 674,0.00289097,0.00220318,-0.00127079,0.00063993,-0.00066556,0.0003096
 2,0.00012528,0.00071111,-0.00132883,0.00014627,0.00139566,0.00214185,-
 0.00066478,-0.00011240,0.00021103,0.00010103,0.48227736,0.00233080,-0.
 00428205,0.00178790,0.00005535,-0.00098121,0.00003006,0.02743563,0.004
 76829,-0.00269785,0.00679190,-0.08667977,0.00253379,-0.02737621,0.0027
 1340,0.00337041,-0.00151171,-0.00395043,0.00199107,0.00094024,0.000605
 87,-0.00004789,0.00008672,0.00053958,-0.00076496,-0.00145917,0.0006197
 5,-0.00076048,-0.00133734,-0.00005226,0.00003173,-0.02818934,0.5178323
 5,-0.00011194,0.00270511,0.00647256,0.00018595,-0.00031113,-0.00092440
 ,-0.00458354,-0.00162298,0.00306899,0.00770411,0.00152088,-0.07179195,
 0.00555983,0.00100560,0.00273903,-0.00001303,0.00140022,0.00578171,-0.
 00040154,0.00002086,0.00055733,-0.00007735,-0.00047978,-0.00377360,0.0
 0020006,-0.00052774,-0.00288385,0.00006204,0.00001411,0.00019560,-0.00
 532584,-0.03864272,0.45428193,0.00031307,-0.00032329,-0.00119570,0.000
 33241,-0.00037417,0.00024149,-0.00029352,-0.00125544,0.00139095,-0.016
 18967,-0.00536980,0.03287203,-0.00106920,0.00201801,0.00032652,-0.0011
 4559,-0.00032065,-0.00111707,-0.00002122,-0.00009160,-0.00003742,-0.00
 014038,0.00029940,0.00027772,0.00006966,-0.00026836,0.00045123,-0.0002
 1651,-0.00005951,-0.00003506,-0.08440589,-0.00549646,0.02752631,0.5726
 3736,-0.00051280,-0.00020422,0.00023990,-0.00009827,0.00031931,-0.0001
 1234,0.00162067,0.00016857,-0.00008522,-0.00240543,0.00034710,-0.00019
 880,-0.00089943,-0.00054676,-0.00033638,0.00022230,-0.00022238,-0.0003
 2489,0.00016841,-0.00003233,0.00007814,0.00026192,-0.00030585,-0.00025
 749,0.00006971,0.00021416,0.00031360,0.00001229,-0.00000570,0.00006247
 ,-0.00524549,-0.07779246,0.01906823,-0.00204537,0.57078821,0.00016558,
 0.00033739,0.00006493,-0.00017828,0.00004629,0.00005689,-0.00206857,0.
 00046793,0.00003721,0.01281875,0.00006682,-0.00310612,-0.00202585,-0.0
 0075671,-0.00037881,0.00005162,-0.00021294,-0.00015637,-0.00010721,-0.
 00012529,-0.00004999,0.00002827,0.00015816,0.00013113,-0.00002837,0.00
 001914,0.00013586,-0.00012634,-0.00002671,0.00008107,0.02178824,0.0188
 1637,-0.16224907,0.03694915,0.01883720,0.46870788,-0.00060443,0.000123
 67,0.00100233,-0.00020242,0.00011044,-0.00031467,0.00074928,0.00022723
 ,0.00146100,-0.02169563,-0.02376002,-0.01499273,-0.00288585,0.00080349
 ,-0.00018837,-0.00021787,-0.00074468,0.00078454,0.00024089,0.00035917,
 0.00001103,0.00022488,0.00082418,-0.00135011,-0.00004228,-0.00032487,-
 0.00032033,-0.00012425,0.00005272,0.00005593,-0.09026027,-0.00691714,-
 0.01876191,0.00780267,0.00642485,-0.00019876,0.80346739,0.00008877,-0.
 00122413,0.00032020,-0.00036467,0.00027552,0.00013719,0.00362652,0.002
 48046,-0.00135965,-0.01075406,0.00100313,0.00652086,0.00172548,-0.0010
 4431,-0.00038615,0.00038277,0.00036081,-0.00019050,0.00022753,0.000511
 44,-0.00034573,0.00014098,-0.00050957,0.00050806,-0.00022934,0.0000680
 3,-0.00010938,0.00035280,0.00006357,-0.00008058,-0.00745210,-0.1072236
 8,-0.02303886,0.00786198,0.00426010,-0.00361543,0.32006479,0.45599334,
 0.00092513,-0.00063539,-0.00018393,0.00040538,-0.00011498,0.00033484,0
 .00242606,-0.00182747,-0.00243078,-0.01092811,0.00545131,0.00155754,0.
 00566720,0.00076448,-0.00246100,0.00034728,0.00088701,-0.00076416,0.00
 016343,0.00020926,-0.00021160,-0.00084280,0.00016188,0.00107889,-0.000
 20026,-0.00037688,0.00080768,0.00048670,0.00013856,0.00006610,-0.02001
 521,-0.02775621,-0.11076596,-0.00955693,-0.02317473,-0.03097358,-0.135
 34628,0.03150304,0.49163402,0.00005287,0.00151119,-0.00003834,0.000296
 87,-0.00013579,-0.00003445,-0.00633055,-0.00196878,0.00064388,-0.01608
 566,0.03120493,-0.00810957,0.00147472,0.00252180,-0.00028845,-0.000244
 32,-0.00012067,0.00004319,-0.00054561,-0.00009512,0.00010960,0.0001174
 7,-0.00008091,-0.00012834,-0.00002954,-0.00132305,0.00017392,0.0000511
 4,-0.00000385,-0.00002563,-0.07078642,0.06958152,-0.02430206,0.0030747
 9,-0.00899239,0.00393452,0.00570615,-0.01407606,0.00519969,0.08614229,
 -0.00035644,-0.00006691,0.00013885,-0.00015320,0.00020891,-0.00000718,
 0.00031265,0.00063180,0.00012474,0.00079463,-0.00090189,-0.00011496,-0
 .00294001,0.00049832,-0.00014109,0.00028018,0.00026285,-0.00021560,0.0
 0009056,-0.00000559,-0.00000893,-0.00017285,0.00016107,-0.00006782,0.0
 0011828,0.00063517,0.00005979,0.00004751,-0.00001090,-0.00000110,0.078
 35641,-0.24971799,0.06195883,0.00075468,-0.00394240,0.00305293,0.00671
 769,-0.02600082,0.00693331,-0.07973191,0.27225456,0.00016732,0.0000388
 0,0.00020023,0.00004309,-0.00002558,0.00006723,0.00051880,0.00005804,0
 .00093744,0.00160352,-0.00185674,0.00035424,0.00058916,-0.00010584,0.0
 0008144,-0.00004755,-0.00013242,-0.00007905,-0.00001011,-0.00001298,-0
 .00009814,-0.00001286,0.00003353,-0.00021672,-0.00007762,-0.00011849,0
 .00025590,-0.00002673,-0.00000974,-0.00005762,-0.02433666,0.05706777,-
 0.06248945,-0.00920280,0.03063625,-0.01323192,0.00852612,-0.02030493,0
 .00751529,0.02404556,-0.06760677,0.07387472,-0.00025429,0.00004692,-0.
 00003527,-0.00005966,0.00015068,-0.00003070,0.00010236,-0.00001385,0.0
 0004120,0.00106692,-0.00088530,-0.00053212,-0.00031703,-0.00026259,-0.
 00007799,0.00026792,-0.00003401,0.00004088,0.00007173,-0.00003291,0.00
 000879,-0.00019654,0.00019275,0.00045185,-0.00000326,0.00007669,-0.000
 02347,0.00001431,0.00000396,-0.00000606,0.00202641,-0.00965638,0.00388
 841,-0.07411911,0.07638489,-0.02730189,0.00071076,0.00081729,-0.001002
 99,0.00009861,-0.00046372,0.00232428,0.07583576,-0.00035346,0.00013666
 ,-0.00012282,-0.00005086,0.00015780,0.00000857,-0.00009440,-0.00014372
 ,-0.00045608,0.00080185,0.00028752,-0.00022545,-0.00028102,-0.00021854
 ,0.00006383,0.00021520,0.00002619,-0.00001111,0.00004826,-0.00007274,-
 0.00001699,0.00019089,0.00036041,0.00003335,0.00000844,0.00009687,-0.0
 0004443,-0.00000620,-0.00000247,0.00000832,0.00075146,-0.00370487,0.00
 241158,0.07543833,-0.25870915,0.07455549,-0.00121433,0.00000286,-0.000
 79391,-0.00037452,0.00129556,0.00053533,-0.08351694,0.27937257,0.00046
 893,-0.00035216,0.00010076,0.00005966,-0.00028085,0.00003342,-0.000121
 43,0.00058429,0.00012341,-0.00166706,-0.00047797,0.00124867,0.00052515
 ,0.00034888,0.00018182,-0.00038424,0.00003928,0.00004938,-0.00009907,0
 .00012566,-0.00003514,0.00030359,-0.00047004,-0.00030931,-0.00003997,-
 0.00015977,-0.00003822,0.00000390,0.00000008,-0.00002954,-0.00977634,0
 .02864715,-0.01349569,-0.02602515,0.07242373,-0.07213901,0.00143583,0.
 00264751,0.00124294,0.00195940,0.00055333,-0.00590937,0.02684551,-0.08
 282543,0.08143671,-0.00003955,-0.00004825,0.00000160,0.00016515,-0.000
 08062,0.00002394,0.00040142,-0.00046973,0.00022936,0.00003820,-0.00073
 648,0.00178528,0.00004648,0.00055452,0.00018747,-0.00026046,-0.0000301
 4,-0.00008765,0.00000776,-0.00005816,-0.00000085,0.00001452,-0.0000299
 1,-0.00009466,-0.00000091,-0.00004062,0.00002497,-0.00004494,-0.000012
 01,-0.00002671,-0.00830296,0.00068056,0.00101793,-0.31676729,0.0073776
 1,0.01436101,-0.00213517,-0.00138320,0.00011273,0.00054909,-0.00025779
 ,0.00015014,-0.00876818,0.00008789,0.00016411,0.34317209,-0.00043288,0
 .00005315,-0.00026226,-0.00004681,0.00024194,-0.00004190,0.00024888,-0
 .00012147,-0.00007273,0.00029988,0.00072278,0.00097130,-0.00027752,-0.
 00009802,-0.00006991,0.00029930,-0.00004343,-0.00006231,0.00010055,-0.
 00012258,-0.00001794,-0.00004286,0.00024857,0.00035166,-0.00001813,-0.
 00000092,-0.00000123,-0.00000548,-0.00000345,0.00003579,-0.00619926,-0
 .00114439,0.00110668,0.00585996,-0.04762154,-0.00001560,0.00149250,0.0
 0076302,-0.00076846,-0.00035353,0.00024449,-0.00041022,0.02952662,-0.0
 0006466,-0.00203708,-0.00605341,0.04678968,0.00005970,-0.00004585,0.00
 034915,-0.00007061,0.00005074,-0.00007371,0.00035683,0.00030891,-0.000
 02818,0.00002405,0.00073016,-0.00557617,0.00066312,-0.00033886,-0.0000
 5714,0.00025532,0.00011581,0.00028943,0.00002499,0.00008426,0.00000693
 ,-0.00003438,-0.00019316,-0.00016434,-0.00004464,0.00005691,-0.0001469
 6,0.00008946,0.00002446,0.00000987,0.03260212,-0.00110771,-0.00309176,
 0.01050809,0.00033828,-0.04724994,0.00284261,0.00048147,-0.00034475,-0
 .00025894,0.00020257,0.00150889,-0.01009716,-0.00067730,0.00011957,-0.
 01544255,-0.00168778,0.05213561,-0.00004831,-0.00003278,-0.00000887,-0
 .00002865,0.00000255,-0.00000326,0.00003952,0.00017176,-0.00016769,0.0
 0069864,0.00067956,0.00019161,0.00018517,-0.00016151,-0.00003103,-0.00
 003656,0.00001832,-0.00001845,-0.00000455,0.00002770,-0.00001331,0.000
 03871,-0.00005509,0.00005461,0.00001965,0.00000764,0.00000803,0.000020
 58,0.00000574,0.00000245,0.00267260,0.00809326,0.00801540,-0.08679746,
 -0.07211147,-0.06126836,-0.00253990,-0.00216613,0.00188284,0.00008317,
 -0.00008205,-0.00071819,0.00364194,0.00760702,0.00740040,-0.00946046,-
 0.02310652,-0.01912296,0.08962774,0.00003934,0.00011401,-0.00001350,0.
 00006118,-0.00001831,-0.00000619,0.00018239,-0.00048018,0.00014912,-0.
 00017963,0.00042560,0.00016532,0.00027785,0.00021979,-0.00003627,0.000
 02020,0.00000861,0.00001043,-0.00000441,-0.00002000,0.00000279,-0.0000
 7546,0.00013429,-0.00003303,0.00001603,-0.00005419,-0.00002292,0.00000
 739,0.00000539,-0.00000351,0.00278622,0.00408707,0.00456436,-0.0715365
 6,-0.18169513,-0.11190230,-0.00184137,-0.00007280,0.00209927,0.0003573
 6,0.00082348,-0.00046203,-0.01163048,-0.01942416,-0.01732195,0.0005574
 8,0.00101945,0.00214323,0.08001538,0.19393978,-0.00025396,-0.00008661,
 -0.00011815,-0.00003798,0.00014872,-0.00006692,0.00056193,-0.00011927,
 0.00028063,-0.00146174,0.00001711,0.00101106,0.00008427,-0.00002464,0.
 00020682,0.00028501,0.00006640,-0.00004578,0.00009982,-0.00008140,0.00
 001394,-0.00002489,0.00006057,0.00004070,-0.00001794,0.00005851,-0.000
 12256,0.00002219,-0.00000521,-0.00000219,-0.01164802,-0.02192245,-0.02
 053812,-0.05921965,-0.11000868,-0.13815409,0.00364320,0.00345368,-0.00
 345683,-0.00055657,0.00010775,0.00134806,0.00486432,0.00705970,0.00678
 825,0.00023279,0.00248543,0.00114198,0.06441096,0.12107277,0.15371418,
 -0.00002879,0.00018655,0.00001703,0.00034602,-0.00003039,0.00003153,0.
 00025657,-0.00127737,-0.00029627,0.00169645,-0.00288041,-0.00334939,-0
 .00151270,0.00069837,-0.00032513,-0.00013275,-0.00001643,0.00043655,0.
 00003207,-0.00041188,0.00005659,-0.00013108,0.00009573,0.00013775,0.00
 006374,0.00018115,-0.00010942,-0.00020890,-0.00006733,0.00004219,-0.02
 030583,-0.02987989,0.00307470,-0.00183497,0.00143057,0.00459538,-0.567
 36642,-0.28744624,0.08777301,-0.00304184,-0.00238801,-0.00254074,0.000
 10578,0.00060727,-0.00086655,0.00121689,-0.00064343,-0.00186354,0.0011
 3781,0.00050540,-0.00020902,0.64080780,-0.00020170,0.00061218,0.000102
 96,0.00038469,-0.00010148,-0.00005736,-0.00048441,-0.00163848,0.000665
 21,0.00146915,-0.00498540,-0.00572362,-0.00195691,0.00106530,-0.000177
 63,-0.00030493,-0.00028177,0.00051356,-0.00004258,-0.00043436,0.000136
 70,-0.00015455,0.00024290,-0.00028144,0.00010355,0.00002102,-0.0001470
 5,-0.00026591,-0.00004525,0.00005563,-0.03974829,-0.00447543,-0.002002
 26,-0.00103114,-0.00074567,0.00147397,-0.28252003,-0.24563319,0.041246
 39,0.00084885,0.00198337,0.00122228,-0.00067581,0.00042622,-0.00107659
 ,-0.00028993,-0.00079674,-0.00046856,0.00031731,0.00049077,-0.00045369
 ,0.33955326,0.23323493,-0.00030710,0.00005441,0.00007154,-0.00006255,0
 .00003438,-0.00010165,-0.00017778,0.00055784,0.00085063,0.00061748,-0.
 00350996,-0.00009099,-0.00168374,0.00001872,0.00057603,-0.00014859,-0.
 00029706,0.00021853,-0.00000241,-0.00004368,0.00004419,0.00019694,-0.0
 0005125,-0.00037462,0.00005043,0.00010700,-0.00024700,-0.00014936,-0.0
 0003894,-0.00001553,-0.01227083,-0.01004905,0.01164505,-0.00022815,-0.
 00179273,-0.00031570,0.09866822,0.04735472,-0.11895913,-0.00161632,-0.
 00280714,-0.00139529,0.00048457,0.00000779,0.00050703,-0.00241235,-0.0
 0011069,-0.00009172,-0.00139150,-0.00069259,0.00037044,-0.15343770,-0.
 05595014,0.13474513,0.00097379,-0.00034351,-0.00022694,0.00069257,-0.0
 0060062,0.00033781,0.00074123,-0.00267874,-0.00252852,-0.00469525,-0.0
 0035031,-0.00570766,0.00252339,0.00199076,-0.00091679,-0.00115322,0.00
 044859,0.00012264,-0.00018761,0.00000517,0.00001427,-0.00043845,-0.000
 15461,0.00064316,-0.00001676,-0.00020241,0.00011475,-0.00000064,-0.000
 00602,0.00000891,0.00874907,-0.00429602,-0.00062283,0.00063030,-0.0008
 3210,-0.00078890,-0.10367604,-0.00239709,0.06623026,-0.00018002,-0.001
 38983,-0.00118993,-0.00033474,-0.00000902,0.00002381,0.00047694,-0.000
 53480,-0.00094819,0.00038948,0.00034252,-0.00003193,-0.05534527,-0.014
 64561,0.07114553,0.52899617,-0.00106834,0.00034155,0.00016535,0.000095
 06,0.00024916,-0.00002458,0.00101111,-0.00122706,0.00114479,0.00016631
 ,-0.00027984,-0.00338387,-0.00008316,0.00051731,-0.00025874,0.00015821
 ,0.00011341,-0.00006379,0.00013263,-0.00032631,0.00012758,0.00020299,0
 .00036525,-0.00068701,0.00006519,0.00016691,0.00004595,-0.00006808,-0.
 00001802,0.00002118,0.00429984,0.00973060,-0.02714379,-0.00416414,-0.0
 0392839,-0.00125584,-0.02287707,-0.08154433,-0.04011430,0.00102055,0.0
 0226090,0.00210621,-0.00004357,0.00014391,-0.00044886,0.00019889,-0.00
 015361,-0.00003202,0.00072992,0.00047822,-0.00180163,-0.01919429,0.014
 27704,0.03063144,0.22337697,0.17410637,0.00008244,0.00019169,-0.000170
 05,0.00000531,-0.00035660,-0.00006555,-0.00203277,0.00000089,0.0000414
 5,0.00446474,-0.00066715,-0.00226723,-0.00080090,0.00039977,0.00079259
 ,-0.00085553,-0.00005731,0.00030729,-0.00026049,0.00002822,0.00013727,
 0.00008537,-0.00009107,-0.00041847,0.00016863,0.00004507,-0.00041640,-
 0.00020380,-0.00007634,-0.00005995,0.01515164,-0.00906172,-0.02901662,
 -0.00398691,-0.00606831,-0.00129283,0.01646993,-0.06726479,-0.23719263
 ,-0.00061510,-0.00235805,-0.00266913,0.00007034,0.00044412,0.00008463,
 -0.00013012,0.00048200,0.00103095,0.00082477,0.00037077,-0.00255397,0.
 05949283,0.02279261,-0.01873808,-0.10013079,0.06831187,0.33470612,-0.0
 0041118,0.00014762,0.00006388,-0.00048765,0.00014013,-0.00011156,-0.00
 175964,0.00180025,-0.00025626,0.00384322,-0.00070936,0.00060536,-0.001
 24213,-0.00145340,0.00014850,0.00025726,-0.00017724,-0.00000613,-0.000
 02071,0.00016480,-0.00004160,0.00010111,-0.00017093,-0.00005453,0.0000
 3077,0.00028280,0.00001339,0.00001629,0.00001128,0.00000761,0.00171188
 ,0.00026768,-0.00313256,-0.00117060,-0.00086232,-0.00032222,-0.0277247
 4,-0.01013177,0.00571023,-0.00025415,0.00042351,0.00022036,0.00006130,
 0.00019119,-0.00022245,-0.00010920,-0.00002898,0.00016067,0.00029870,0
 .00007059,-0.00066339,0.00506562,0.00044508,0.00289027,-0.37767654,-0.
 18340211,0.01277298,0.39916581,0.00180310,-0.00021408,-0.00044355,0.00
 009016,-0.00074055,0.00008210,-0.00213954,0.00102224,-0.00101011,0.000
 72529,-0.00015699,0.00018376,0.00020187,-0.00037903,0.00033040,-0.0011
 4162,-0.00002103,0.00035405,-0.00040918,0.00045809,-0.00002322,-0.0000
 2568,-0.00035895,0.00070511,0.00004305,-0.00023161,-0.00016441,0.00000
 165,0.00000758,-0.00004208,0.00074199,-0.00069560,-0.00205790,0.000040
 44,-0.00033147,-0.00000227,0.00343014,-0.00195838,0.00641777,0.0002296
 4,-0.00065048,-0.00062954,-0.00001304,-0.00000134,0.00014801,-0.000003
 18,0.00005625,0.00007106,0.00006791,0.00000404,-0.00007853,0.00061471,
 0.00638910,-0.00347301,-0.19783733,-0.11548561,-0.00719593,0.19311054,
 0.11351624,-0.00040710,0.00018019,0.00014278,-0.00047269,0.00043426,-0
 .00012618,-0.00129031,0.00175986,-0.00025317,-0.00002581,-0.00130542,0
 .00024738,-0.00161760,-0.00173938,0.00016886,0.00113721,-0.00032027,-0
 .00026795,0.00017871,0.00011730,-0.00008744,0.00001535,0.00008057,-0.0
 0011056,-0.00004846,0.00022590,0.00012925,0.00012817,0.00007369,0.0000
 4773,0.00112264,-0.00130891,-0.00279206,-0.00006284,0.00035188,0.00006
 518,0.03667487,0.02370849,0.00330815,-0.00012598,0.00018561,0.00000002
 ,0.00007644,0.00002083,0.00004147,-0.00010234,0.00007631,0.00028262,-0
 .00005794,-0.00007115,0.00013597,0.00735076,-0.00180326,-0.00863733,-0
 .02559693,-0.02723416,-0.04215056,-0.01780086,0.00675909,0.04983549,-0
 .05145781,0.04891377,-0.00480882,-0.03378976,-0.00736861,0.00343485,0.
 02151689,-0.00560947,0.00005739,-0.00210016,0.01819540,-0.00348618,-0.
 01307758,-0.00869165,0.00223287,0.01115800,-0.00817440,0.00070363,-0.4
 0452227,-0.03173253,0.03015570,0.00013522,-0.00046888,0.00007347,-0.00
 024977,-0.00009058,0.00003529,0.00035614,0.00002275,-0.00003507,0.0003
 0448,0.00020518,0.00000248,-0.00006075,-0.00012002,-0.00009294,0.00024
 203,0.00038824,0.00030418,0.00005294,-0.00002833,0.00000433,-0.0000427
 2,-0.00006897,0.00010763,-0.00004394,-0.00010672,0.00006551,0.00002803
 ,0.00001130,-0.00009568,-0.00035745,-0.00030540,-0.00009050,0.00007024
 ,-0.00027981,-0.00006290,0.00007186,0.00046452,0.00013018,0.76384998,0
 .01930818,0.02514422,-0.00480112,-0.02196501,-0.00272078,0.00138817,0.
 01277956,-0.00965726,0.00199622,-0.00044720,0.01133832,-0.00252621,-0.
 00836308,-0.00637314,0.00168844,0.00903939,-0.00591418,0.00033587,0.02
 039287,-0.12766085,0.01194979,0.00039578,-0.00000987,-0.00003627,-0.00
 022035,-0.00004249,0.00003374,0.00016021,0.00010017,-0.00004479,0.0003
 1681,-0.00042160,0.00025586,-0.00014904,-0.00003392,-0.00009010,-0.000
 09610,0.00009611,0.00000472,0.00017514,-0.00003498,-0.00001704,-0.0000
 2629,-0.00005251,0.00006828,-0.00002415,-0.00008103,0.00006604,0.00001
 868,0.00000565,-0.00005205,-0.00012233,-0.00008138,-0.00000897,0.00006
 676,-0.00014955,0.00003470,0.00000792,0.00025914,0.00001629,-0.0583967
 4,0.65252645,0.00051122,-0.00691816,0.00739867,0.00605178,0.00030261,-
 0.00431153,-0.00352415,0.00315745,0.00481417,0.00028654,-0.00338314,0.
 00060342,0.00242525,0.00177570,-0.00036578,-0.00243754,0.00150189,-0.0
 0085450,0.02078867,0.01563909,-0.05815017,-0.00007969,0.00001093,-0.00
 010538,0.00006350,0.00003525,0.00011088,-0.00006143,-0.00002911,-0.000
 05752,-0.00014314,-0.00002719,-0.00050163,0.00012496,-0.00000466,0.000
 01423,-0.00004455,-0.00001218,-0.00009884,-0.00006164,-0.00000302,-0.0
 0000538,0.00000232,0.00001029,-0.00002283,0.00000689,0.00003097,-0.000
 03943,-0.00000138,0.00000545,0.00002046,0.00003510,0.00002268,0.000035
 39,-0.00004185,0.00006853,0.00007091,0.00000339,-0.00011340,-0.0000665
 4,-0.03412839,-0.09177862,0.14200098,0.00607502,-0.00046634,-0.0007582
 4,-0.03234589,0.03228173,-0.00366518,-0.00323990,0.00017791,0.00013561
 ,0.00187592,-0.00084364,0.00069070,-0.00089653,0.00128421,-0.00008029,
 -0.00205437,-0.00300498,0.00107487,-0.02707905,-0.03051509,0.00765297,
 0.00028239,0.00030942,-0.00008488,-0.00023519,-0.00016036,0.00000039,-
 0.00003002,0.00014929,-0.00004301,-0.00076318,0.00032178,-0.00013708,0
 .00059354,0.00000649,0.00026581,-0.00128234,-0.00123473,-0.00029620,0.
 00011021,-0.00008148,0.00004264,-0.00008496,-0.00001777,0.00002821,0.0
 0022828,0.00004744,-0.00024507,-0.00011132,-0.00000925,0.00009172,0.00
 123611,0.00092648,0.00011297,0.00079379,0.00033181,0.00034205,-0.00055
 685,-0.00026438,-0.00087591,-0.13247875,-0.08114269,0.01915384,0.66201
 198,0.01928470,-0.04433972,0.00562470,0.07047222,0.00570062,-0.0059748
 6,-0.01899270,0.00761203,-0.00030829,-0.00032477,-0.02241677,0.0039501
 4,0.02161125,0.01216880,-0.00319858,-0.02596591,0.01669993,-0.00028945
 ,-0.07144771,0.02840431,0.00041074,-0.00028838,0.00024364,-0.00004648,
 0.00005978,0.00025902,-0.00014842,-0.00045892,0.00005922,-0.00004754,0
 .00026184,-0.00041253,0.00001810,-0.00034379,0.00019014,-0.00004512,0.
 00022690,0.00030561,-0.00005437,-0.00015388,0.00006930,-0.00002106,0.0
 0008980,0.00005997,-0.00013776,-0.00008759,0.00008661,0.00009989,0.000
 01339,-0.00000294,0.00006276,-0.00019042,-0.00020345,0.00001339,-0.000
 46589,-0.00000875,-0.00024811,0.00017850,-0.00027145,0.00042117,-0.018
 43984,-0.24232359,0.03279701,-0.03669780,0.68889839,-0.00430746,0.0070
 9700,-0.00654484,-0.01054925,-0.00334830,0.00121486,0.00364946,-0.0014
 8901,-0.00039707,-0.00007047,0.00414545,-0.00066479,-0.00378838,-0.002
 15744,0.00129251,0.00520067,-0.00180495,0.00547543,0.01506139,-0.00250
 677,0.00243915,0.00002626,-0.00007652,-0.00006164,-0.00003172,-0.00013
 702,-0.00051787,0.00006372,-0.00008816,-0.00033643,0.00001642,0.000061
 67,0.00004996,0.00001327,-0.00002423,-0.00000594,0.00004242,0.00001413
 ,0.00007751,0.00002812,0.00000069,-0.00000264,-0.00000703,-0.00000789,
 0.00002626,0.00000236,-0.00002303,-0.00000207,0.00000486,-0.00000470,-
 0.00001977,-0.00004760,-0.00002389,-0.00002714,0.00003916,-0.00003205,
 -0.00002153,-0.00000884,0.00008489,0.00000525,0.00780935,0.03725165,-0
 .07541865,-0.02817968,-0.09321942,0.18028882,-0.01239131,-0.04699343,0
 .00989381,-0.27789779,-0.00699928,0.01652896,-0.00951694,0.00497522,-0
 .00002052,-0.00284087,-0.01726490,0.00281392,0.02217863,0.01140368,-0.
 00288549,-0.05079272,0.02513871,-0.00075638,-0.03793898,0.01990984,-0.
 00115162,-0.00010666,0.00021058,-0.00003309,0.00012934,0.00017650,-0.0
 0003039,0.00119399,-0.00170526,0.00002263,0.00074216,-0.00031447,-0.00
 004477,-0.00043921,0.00008656,-0.00002767,0.00032301,0.00044276,0.0000
 4496,-0.00015200,0.00007317,-0.00002364,0.00008351,0.00004847,-0.00011
 481,-0.00014667,0.00005299,0.00014272,0.00002366,0.00001383,0.00002736
 ,-0.00038858,-0.00035278,-0.00004193,-0.00058584,-0.00013993,-0.000328
 37,0.00024968,-0.00009850,0.00063628,0.04947255,0.01776654,-0.00598607
 ,-0.17844608,0.06108187,-0.00324371,0.65513778,-0.03492247,0.01821689,
 0.00054712,-0.03317077,-0.10815952,0.01075643,0.00449119,-0.00819798,0
 .00199441,0.00123236,0.00755297,-0.00123384,-0.00696725,-0.00921730,0.
 00311280,0.04462645,-0.00292323,-0.00168318,0.02057339,-0.01240868,0.0
 0037615,-0.00153409,-0.00009233,0.00012439,0.00136426,-0.00011320,-0.0
 0004274,0.00106279,0.00112258,-0.00080582,-0.00041996,0.00049229,-0.00
 021902,0.00040316,-0.00009026,0.00013812,-0.00041498,-0.00068552,-0.00
 015013,-0.00004158,0.00000203,0.00001563,-0.00003187,0.00000843,0.0000
 0173,0.00011423,0.00001281,-0.00015689,-0.00004548,0.00000851,0.000030
 12,0.00049261,0.00047584,0.00004617,0.00039922,0.00024438,0.00027671,-
 0.00021752,-0.00012008,-0.00048861,-0.01277819,-0.04846031,0.01148539,
 0.11699625,-0.30213137,0.03482897,-0.00430470,0.73213684,0.00770490,0.
 00132553,0.00680902,0.02117077,0.00892291,-0.06466766,0.00021146,0.001
 91344,0.00390569,-0.00010146,-0.00031064,-0.00089787,0.00016434,0.0019
 7794,0.00549225,-0.00432549,-0.00026408,0.00529012,-0.00123745,0.00041
 666,-0.00248099,0.00028438,0.00001268,0.00003759,-0.00026782,0.0000271
 4,0.00014259,-0.00047969,-0.00062417,-0.00276983,0.00004518,-0.0002020
 7,-0.00058888,-0.00001152,0.00006760,-0.00004219,0.00005440,-0.0000005
 4,-0.00004980,0.00001886,0.00001794,0.00000231,0.00001017,-0.00000215,
 -0.00001519,-0.00000764,0.00002220,0.00000243,0.00000877,0.00000553,0.
 00001351,-0.00012201,-0.00009275,0.00002040,-0.00007868,-0.00003654,0.
 00007280,0.00007608,0.00004460,0.00002463,-0.00046043,0.00931394,0.008
 23332,-0.01337977,0.03878910,-0.07174768,-0.03655519,-0.11094942,0.143
 25819,-0.00628182,0.00175355,0.00004426,0.00655346,0.00455507,-0.00064
 362,0.00340527,0.00001055,-0.00019646,-0.00219349,0.00192000,-0.001227
 95,-0.00073084,-0.00116356,0.00017817,-0.00212489,-0.00138411,0.000425
 44,0.00574618,-0.00324870,0.00038734,-0.00018617,-0.00030588,0.0000718
 3,-0.00040391,0.00021541,-0.00001500,0.00010627,0.00020991,-0.00004437
 ,0.00083971,-0.00064001,0.00035454,-0.00092361,0.00005776,-0.00048649,
 0.00157345,0.00176648,0.00054809,-0.00012380,0.00008703,-0.00006224,0.
 00010811,-0.00000794,-0.00001799,-0.00029068,-0.00008809,0.00038946,0.
 00014926,0.00002005,-0.00012333,-0.00160926,-0.00126203,-0.00016904,-0
 .00094197,-0.00052036,-0.00058350,0.00065630,0.00041679,0.00121309,-0.
 04978204,-0.01443154,0.00645821,-0.28085852,0.04033754,0.00904666,-0.0
 4515675,0.01291214,0.00149551,0.50790242,-0.00147915,0.00255095,-0.000
 53266,-0.00391734,-0.00508048,0.00278647,0.00157835,-0.00014081,-0.000
 13801,-0.00013017,0.00182441,-0.00037832,-0.00168407,-0.00130865,0.000
 16200,0.00311577,-0.00079818,-0.00005530,0.00318616,-0.00774180,0.0017
 3263,0.00013583,-0.00002858,-0.00000244,0.00009805,0.00001569,-0.00001
 082,-0.00001757,0.00012395,0.00001412,0.00007026,0.00001577,0.00003905
 ,-0.00005799,-0.00003140,-0.00004217,0.00017300,0.00012245,0.00002922,
 -0.00002353,0.00001149,-0.00000930,0.00000777,0.00000643,0.00000205,-0
 .00002675,-0.00001330,0.00002713,0.00001794,0.00000442,-0.00001309,-0.
 00016099,-0.00008661,-0.00001461,-0.00009296,-0.00000611,-0.00002940,0
 .00007146,0.00001786,0.00010323,-0.04804770,0.00448067,0.00349140,0.00
 313648,-0.10955095,0.01141772,0.03904893,0.00415828,-0.00162132,0.0796
 4500,0.35083087,0.00063135,-0.00076080,-0.00091316,0.00086311,0.002199
 40,0.00821601,-0.00054609,-0.00004340,-0.00032324,0.00018658,-0.000437
 80,0.00027310,0.00028624,0.00015550,-0.00087734,-0.00039283,0.00024180
 ,0.00005762,-0.00074888,0.00219619,0.00278301,-0.00001157,0.00002768,0
 .00000347,0.00001317,-0.00001931,-0.00001592,0.00000890,-0.00000038,0.
 00019813,-0.00007744,0.00006249,0.00002058,0.00007879,-0.00001264,0.00
 003598,-0.00012686,-0.00014091,-0.00010063,0.00001283,-0.00001735,0.00
 000409,-0.00001131,-0.00000430,0.00000227,0.00002430,0.00000623,-0.000
 03068,-0.00001497,0.00000261,0.00001254,0.00013735,0.00010520,0.000035
 49,0.00007010,0.00004784,0.00009193,-0.00005593,-0.00003867,-0.0001288
 4,0.01254756,0.00112253,0.00412548,0.01586452,0.00883032,-0.04841389,-
 0.00322912,0.00021551,0.01044341,-0.04497917,-0.05644756,0.08562135,0.
 00108102,-0.00001103,-0.00006546,-0.00124189,-0.00200069,0.00046885,-0
 .00072907,-0.00011444,0.00004431,0.00043633,-0.00034052,0.00024440,0.0
 0008955,0.00006512,-0.00000339,0.00073626,0.00019595,-0.00010607,-0.00
 093189,-0.00150644,0.00042827,0.00001580,0.00007008,-0.00001264,0.0000
 9278,-0.00004901,0.00000379,-0.00000715,-0.00006769,0.00002032,-0.0001
 9400,0.00012694,-0.00006560,0.00018931,-0.00000477,0.00009800,-0.00037
 888,-0.00037617,-0.00009081,0.00002734,-0.00002086,0.00001398,-0.00002
 485,-0.00000335,0.00000485,0.00006607,0.00001729,-0.00007932,-0.000034
 57,-0.00000287,0.00002600,0.00037184,0.00027484,0.00003156,0.00022905,
 0.00009696,0.00010292,-0.00015783,-0.00007649,-0.00025761,-0.00194162,
 0.00415664,-0.00039166,-0.04392484,-0.03775463,0.00966244,0.00195781,-
 0.00045367,-0.00014084,-0.11102000,-0.03283304,0.00950553,0.58226470,0
 .00121964,0.00053519,-0.00015456,-0.00218216,-0.00190390,0.00055064,-0
 .00074550,-0.00030847,0.00004571,0.00063844,-0.00024435,0.00032949,-0.
 00002516,0.00006694,0.00000739,0.00103596,0.00026426,-0.00015450,-0.00
 004271,0.00005704,0.00023048,0.00002485,0.00008428,-0.00001156,0.00013
 178,-0.00007852,0.00000891,0.00000227,-0.00017235,0.00004661,-0.000273
 75,0.00018871,-0.00011143,0.00029388,-0.00000758,0.00015768,-0.0005007
 1,-0.00053221,-0.00015708,0.00004982,-0.00003307,0.00002240,-0.0000355
 3,-0.00000490,0.00001001,0.00009424,0.00002625,-0.00012343,-0.00004921
 ,-0.00000882,0.00003406,0.00050742,0.00037825,0.00005005,0.00031678,0.
 00013487,0.00018444,-0.00021756,-0.00010048,-0.00039771,0.00422328,0.0
 0173279,-0.00002717,-0.01745702,0.00133673,0.00018536,0.01009807,0.002
 52001,-0.00140067,-0.06420329,-0.18491249,0.02715006,-0.07135159,0.488
 32248,-0.00028192,-0.00006930,0.00017979,0.00051181,0.00054767,0.00021
 635,0.00016782,0.00001612,-0.00025804,-0.00014696,0.00007234,-0.000055
 23,0.00000129,-0.00000510,0.00004917,-0.00025221,-0.00009027,-0.000124
 28,0.00015144,0.00032096,0.00118152,-0.00000332,-0.00001464,0.00003381
 ,-0.00002937,0.00002128,0.00001870,0.00000407,0.00004766,0.00005216,0.
 00006010,-0.00005210,0.00002502,-0.00006437,0.00000724,-0.00002630,0.0
 0008711,0.00014340,0.00012518,-0.00001167,0.00001046,-0.00000521,0.000
 00978,0.00000546,-0.00000126,-0.00002115,-0.00000555,0.00002608,0.0000
 1204,-0.00000562,-0.00001232,-0.00010222,-0.00008964,-0.00004362,-0.00
 005001,-0.00004741,-0.00012086,0.00003882,0.00002774,0.00013030,-0.000
 41599,-0.00002269,0.00323267,0.00594871,0.00159322,-0.00505955,-0.0020
 7449,-0.00066137,-0.00103397,0.01526184,0.02497139,-0.06649307,0.01183
 489,0.01904271,0.56075708,0.01077384,0.01463600,-0.00312926,-0.0016340
 3,0.00277059,-0.00009119,0.00117908,0.00113273,-0.00048032,0.00008916,
 -0.00054454,0.00009118,0.00033017,0.00016913,-0.00005866,0.00039722,0.
 00076478,-0.00016166,-0.11753191,-0.10936118,0.02534034,-0.00013135,-0
 .00044510,0.00010297,-0.00001642,-0.00003087,0.00001011,-0.00013462,0.
 00024132,-0.00002322,-0.00003428,-0.00001039,0.00001563,0.00000851,0.0
 0001455,0.00000572,-0.00005310,-0.00001394,-0.00004000,0.00002149,-0.0
 0000826,0.00000150,-0.00000529,-0.00000098,0.00001299,0.00000886,-0.00
 000192,-0.00000577,-0.00000107,-0.00001024,0.00000118,0.00004321,0.000
 01349,0.00001575,0.00002383,-0.00000727,0.00003029,-0.00000461,0.00000
 355,-0.00003363,-0.01101912,-0.02931668,0.00630258,-0.00419762,0.00210
 935,0.00056014,-0.00059673,0.00032926,-0.00006745,-0.00100702,-0.00172
 117,0.00039956,-0.00024604,0.00032124,-0.00006356,0.12268170,-0.014090
 17,-0.01912030,0.00499122,0.00429052,-0.00230023,0.00093296,-0.0019431
 2,0.00109460,-0.00057084,0.00033227,0.00003145,-0.00003286,0.00010283,
 0.00016595,-0.00003601,-0.00133850,-0.00073505,0.00024004,-0.10991125,
 -0.26529580,0.04895002,0.00113109,0.00032471,-0.00010069,0.00006661,0.
 00004158,-0.00000363,0.00023575,-0.00035527,0.00007978,-0.00001782,-0.
 00001533,0.00003735,0.00002200,-0.00003114,0.00002359,-0.00001963,-0.0
 0009761,-0.00002621,-0.00000539,0.00000908,-0.00000677,0.00001344,0.00
 001693,-0.00001332,0.00000249,0.00001229,-0.00001621,-0.00000276,0.000
 00365,0.00000842,0.00003667,0.00006729,-0.00000308,-0.00000375,0.00006
 302,0.00000843,-0.00001912,-0.00007021,-0.00001626,0.00110747,0.003003
 12,-0.00000684,0.00094905,0.00192768,0.00126629,0.00063500,0.00030980,
 -0.00023625,-0.00022349,-0.00004825,0.00006410,0.00011037,0.00012495,-
 0.00008620,0.11900695,0.28035863,0.00199149,0.00297581,0.00210544,-0.0
 0034839,0.00104744,0.00445732,0.00008290,-0.00079533,-0.00257468,-0.00
 009038,0.00001856,-0.00013965,-0.00005159,-0.00005236,-0.00006961,0.00
 022090,0.00009029,0.00004568,0.02545511,0.04891305,-0.04625033,-0.0001
 7642,0.00001441,0.00023838,-0.00000642,0.00000404,0.00004777,-0.000022
 00,0.00007668,0.00014886,0.00000828,0.00001834,0.00010972,-0.00003155,
 -0.00001689,0.00001085,-0.00003708,0.00008736,0.00017960,0.00000274,0.
 00000367,-0.00000219,0.00001177,0.00001182,0.00000751,-0.00000327,0.00
 000403,0.00000484,0.00000334,-0.00000863,-0.00000962,0.00002154,-0.000
 02369,-0.00005836,0.00005703,-0.00009715,-0.00013418,-0.00000374,0.000
 06719,0.00005181,0.00081043,0.00208531,0.00281246,0.00078115,0.0012077
 7,0.00912484,-0.00012061,-0.00021998,-0.00073401,0.00012565,0.00017220
 ,0.00018488,-0.00002454,-0.00010206,-0.00028718,-0.02824436,-0.0542904
 2,0.03656697,-0.00480206,-0.00192858,0.00133662,-0.00070157,-0.0003357
 2,0.00005191,0.00016766,0.00130463,-0.00021615,-0.00049737,0.00012416,
 -0.00004731,-0.00019911,-0.00022624,0.00006058,0.00033249,-0.00005950,
 -0.00004437,-0.01240929,0.02743254,-0.00393790,-0.00001880,-0.00003936
 ,0.00001895,-0.00000365,0.00001550,-0.00000369,-0.00001760,0.00005851,
 -0.00000677,0.00000033,0.00010571,-0.00004173,-0.00002061,0.00000165,-
 0.00002029,0.00007226,0.00008786,0.00005721,-0.00005116,0.00000741,0.0
 0000111,0.00000664,-0.00000165,0.00000024,-0.00000862,-0.00000260,0.00
 001305,0.00000365,0.00000073,-0.00000271,-0.00005808,-0.00006012,-0.00
 001298,-0.00002054,-0.00002771,-0.00003456,0.00001906,0.00001741,0.000
 04292,-0.14181128,0.12799955,-0.01561877,0.01033664,-0.01257453,0.0018
 2188,-0.00124091,-0.00249325,0.00077543,0.00126111,0.00039908,-0.00032
 468,0.00004226,-0.00005911,-0.00002387,0.00109825,-0.00034847,-0.00037
 104,0.14806131,-0.00130750,0.00174443,0.00147895,-0.00110304,0.0003613
 9,-0.00012921,0.00012804,0.00003215,0.00004747,0.00001937,0.00024865,-
 0.00014390,-0.00022902,-0.00008807,0.00005112,0.00027991,-0.00015386,-
 0.00007804,-0.00209748,0.00565980,-0.00043237,0.00001234,0.00000279,0.
 00003528,0.00001268,-0.00001008,-0.00000195,-0.00002374,0.00004412,0.0
 0000170,-0.00002942,0.00002572,-0.00002129,0.00002318,-0.00000470,0.00
 001102,-0.00002959,-0.00002770,-0.00000417,0.,-0.00000134,0.00000323,-
 0.00000309,0.00000105,0.00000364,0.00000602,0.00000149,-0.00000913,-0.
 00000255,-0.00000210,0.00000126,0.00003036,0.00002045,0.00000142,0.000
 02244,0.00000579,0.00000935,-0.00001361,-0.00000241,-0.00002274,0.1265
 3611,-0.25132253,0.03042365,0.01846134,-0.01918907,0.00288368,-0.00374
 413,-0.00328751,0.00146082,0.00092228,0.00218488,-0.00088174,-0.000383
 75,0.00008760,-0.00007033,0.00027376,0.00063969,-0.00106559,-0.1387765
 8,0.26367633,0.00124116,0.00153433,0.00907324,0.00018795,-0.00019076,-
 0.00075733,-0.00000500,-0.00003291,0.00034281,-0.00000280,-0.00017760,
 -0.00062120,0.00007251,0.00006011,0.00012748,-0.00011422,-0.00005392,-
 0.00046542,0.00142955,-0.00250952,0.00277246,0.00001369,0.00003900,0.0
 0019719,-0.00000352,-0.00000250,-0.00001702,0.00000871,-0.00000369,0.0
 0004423,-0.00001426,-0.00002524,-0.00008078,0.00000785,-0.00000894,0.0
 0001041,-0.00002719,0.00002380,0.00006152,-0.00000385,0.00000029,0.000
 01202,-0.00000077,0.00000606,0.00000385,0.00000010,0.00000704,-0.00000
 324,0.00000088,-0.00000378,-0.00000085,0.00001058,-0.00000767,-0.00002
 014,0.00001818,-0.00001615,-0.00004773,-0.00001155,0.00000911,0.000024
 32,-0.01537971,0.03032188,-0.03856246,-0.00378591,0.00505747,0.0032164
 3,0.00099490,0.00137312,0.00302267,-0.00041749,-0.00084755,-0.00214760
 ,0.00003557,-0.00009349,-0.00044149,-0.00048552,-0.00101941,-0.0049220
 7,0.01643208,-0.03363334,0.02901510,-0.00504871,0.00184572,0.00035065,
 -0.01101911,-0.02830926,0.00605500,-0.00003494,-0.00159936,0.00032736,
 0.00008039,-0.00000244,-0.00005877,0.00013007,0.00028235,-0.00007806,0
 .00151832,-0.00174684,0.00000251,-0.00066298,0.00054353,-0.00007484,-0
 .00048293,-0.00001213,0.00004325,-0.00000539,0.00001370,0.00001358,-0.
 00010746,0.00113218,-0.00018025,0.00003824,0.00005932,0.00001187,-0.00
 002672,-0.00000450,-0.00001253,0.00003696,0.00001986,0.00002550,-0.000
 03403,0.00001003,-0.00000218,0.00000743,0.00000589,-0.00001096,-0.0000
 0779,0.00000038,0.00001042,0.00000153,0.00000409,0.00000024,-0.0000216
 4,-0.00000998,-0.00000727,-0.00002165,-0.00000198,-0.00003463,0.000014
 21,-0.00000666,0.00005164,-0.00176175,0.00288253,-0.00001307,0.0133390
 4,0.01359517,-0.00309289,-0.11381658,-0.10950845,0.02568712,-0.0002953
 7,-0.00220811,0.00017584,-0.00238187,0.00162776,-0.00015292,0.00005389
 ,-0.00010897,-0.00004694,0.00040033,0.00084858,-0.00016706,0.12283940,
 0.00059433,0.00161331,0.00051805,-0.00024461,0.00185364,0.00005271,0.0
 0043252,-0.00019467,0.00007964,0.00007157,0.00043751,-0.00013196,-0.00
 056053,-0.00004290,-0.00001788,0.00167138,0.00072372,-0.00079232,0.000
 67638,0.00027546,-0.00015408,-0.00000356,-0.00000156,0.00002708,-0.000
 04521,0.00000600,0.00004128,-0.00043956,0.00031457,0.00002157,0.000025
 32,-0.00000760,0.00001354,-0.00002319,-0.00000589,-0.00001425,0.000058
 54,0.00005325,0.00003927,-0.00000457,0.00000405,-0.00000291,0.00000332
 ,0.00000133,-0.00000050,-0.00000935,-0.00000275,0.00001100,0.00000514,
 0.00000145,-0.00000573,-0.00005267,-0.00003700,-0.00001367,-0.00002597
 ,-0.00001372,-0.00003353,0.00001904,0.00001071,0.00005002,0.00429786,-
 0.00258634,0.00118134,-0.01561030,-0.01880119,0.00536909,-0.10805617,-
 0.27158715,0.05134857,-0.00080544,0.00121406,-0.00081456,-0.00105409,-
 0.00071985,0.00014079,-0.00009338,-0.00007686,-0.00014481,-0.00079824,
 -0.00091860,0.00025755,0.12020167,0.28700596,0.00057174,0.00041605,0.0
 0455700,0.00100001,0.00202849,0.00161931,-0.00004741,0.00022096,0.0003
 8305,-0.00003443,-0.00010814,-0.00010772,0.00007323,-0.00006227,-0.000
 29925,-0.00061265,-0.00056739,-0.00285802,-0.00010821,-0.00013665,-0.0
 0026852,0.00004219,0.00002889,0.00013584,0.00002292,0.00003752,0.00020
 846,0.00010152,-0.00008444,0.00027921,0.00000340,-0.00000674,0.0000469
 9,-0.00001292,0.00000429,0.00001305,-0.00003076,-0.00000877,0.00005451
 ,0.00000123,0.00000110,-0.00000114,-0.00000098,0.00000672,-0.00000250,
 -0.00000200,0.00000528,-0.00000039,0.00000063,-0.00000565,-0.00000220,
 0.00003006,0.00001535,-0.00002066,0.00002425,-0.00001053,-0.00004741,-
 0.00001121,-0.00000114,0.00002472,-0.00027104,0.00127975,0.00533769,0.
 00223648,0.00331422,0.00398556,0.02540241,0.05146475,-0.04192981,-0.00
 008121,-0.00071156,-0.00341851,0.00033083,-0.00005343,-0.00039891,-0.0
 0005034,-0.00014119,-0.00088041,0.00013187,0.00014405,0.00015897,-0.02
 888298,-0.05664349,0.03402277,-0.00019977,0.00053718,-0.00009217,-0.00
 081257,-0.00011554,-0.00052517,0.00020605,-0.00007416,0.00008383,0.000
 00998,0.00024898,-0.00004560,-0.00024081,-0.00011731,0.00005269,0.0002
 7611,-0.00020298,0.00005273,0.00070046,-0.00034115,-0.00013262,0.00000
 499,-0.00000160,-0.00000790,0.00000142,-0.00000621,-0.00000028,0.00000
 035,0.00000900,-0.00000006,-0.00000921,0.00001365,-0.00000482,0.000012
 10,-0.00000201,0.00000478,-0.00002302,-0.00002729,-0.00000974,0.000002
 94,-0.00000181,0.00000134,-0.00000222,-0.00000151,0.00000145,0.0000042
 0,0.00000012,-0.00000488,-0.00000189,0.00000042,0.00000097,0.00002252,
 0.00001776,0.00000361,0.00001607,0.00000520,0.00001186,-0.00001073,-0.
 00000035,-0.00001782,-0.00093980,-0.00065397,-0.00041498,0.00480348,-0
 .00080716,0.00172458,0.00042597,0.00128014,-0.00024747,0.00137972,-0.0
 1409916,0.02048467,-0.07214876,0.02760751,-0.06630240,0.00000402,0.000
 00512,0.00004988,0.00002746,0.00010831,0.00006537,-0.00127970,0.000139
 73,0.00146914,0.07145225,-0.00039450,0.00017881,0.00001192,0.00007265,
 0.00010300,-0.00002446,0.00021648,-0.00001019,0.00001481,-0.00010731,0
 .00015130,-0.00008187,-0.00009940,-0.00008524,0.00000208,-0.00003354,-
 0.00006118,0.00001635,0.00037141,-0.00010302,-0.00020755,-0.00000772,-
 0.00001834,0.00000952,-0.00001978,0.00001282,-0.00000046,0.00001483,0.
 00000819,0.00000708,0.00004488,-0.00003156,0.00001609,-0.00004680,-0.0
 0000036,-0.00002449,0.00008251,0.00009612,0.00004522,-0.00000676,0.000
 00518,-0.00000352,0.00000593,0.00000063,-0.00000090,-0.00001573,-0.000
 00409,0.00001998,0.00000803,0.00000084,-0.00000738,-0.00008461,-0.0000
 6702,-0.00001486,-0.00004723,-0.00002912,-0.00004404,0.00003338,0.0000
 2353,0.00007221,-0.00101142,-0.00062373,-0.00032643,0.00633169,0.00021
 904,-0.00001108,-0.00076667,0.00081913,-0.00047233,-0.00505312,-0.0251
 6498,0.02981756,0.02472899,-0.07934965,0.07543797,-0.00004001,-0.00001
 487,0.00005807,0.00007311,0.00016070,0.00010582,0.00006000,0.00022882,
 -0.00003153,-0.02268122,0.09566123,0.00013793,-0.00005224,-0.00004783,
 -0.00012200,-0.00065096,0.00008585,-0.00017981,-0.00005811,0.00003088,
 0.00009808,-0.00011266,0.00004881,0.00005127,0.00007665,-0.00000010,0.
 00006595,0.00008816,0.00001971,-0.00027796,0.00001090,0.00006196,-0.00
 001761,0.00000284,-0.00001001,0.00000590,-0.00000467,-0.00000296,0.000
 01858,-0.00004136,-0.00002359,-0.00002171,0.00001341,-0.00001747,0.000
 02511,-0.00000312,0.00001178,-0.00001421,-0.00003938,-0.00003129,0.000
 00480,-0.00000239,0.00000212,-0.00000204,-0.00000069,-0.00000112,0.000
 00604,0.00000337,-0.00001021,-0.00000355,0.00000177,0.00000306,0.00002
 430,0.00002292,0.00001045,0.00001190,0.00001549,0.00003398,-0.00000968
 ,-0.00001037,-0.00003767,0.00070671,0.00019412,-0.00018360,-0.00349384
 ,0.00029731,0.00082194,0.00035639,0.00089698,-0.00027822,0.00712866,0.
 01003598,-0.00082921,-0.06214214,0.07845724,-0.25080962,0.00002633,0.0
 0000471,-0.00000600,-0.00006085,-0.00011430,-0.00001560,0.00020289,-0.
 00082406,-0.00004736,0.06552152,-0.09428879,0.26893483,-0.00007336,-0.
 00005442,0.00001504,0.00016683,0.00004729,-0.00000876,0.00005456,0.000
 01328,-0.00000871,-0.00003407,0.00002958,-0.00003438,-0.00002371,0.000
 01398,-0.00000497,-0.00006908,-0.00002694,0.00001297,-0.00002167,-0.00
 031743,0.00005703,-0.00000701,-0.00000980,0.00000202,-0.00001623,0.000
 01050,-0.00000090,0.00001065,0.00000271,-0.00000225,0.00003293,-0.0000
 2445,0.00000749,-0.00003318,-0.00000057,-0.00001703,0.00008652,0.00007
 674,0.00001935,-0.00000531,0.00000483,-0.00000257,0.00000581,0.0000016
 3,-0.00000222,-0.00001336,-0.00000209,0.00001397,0.00000716,0.00000069
 ,-0.00000551,-0.00007949,-0.00005698,-0.00000737,-0.00004899,-0.000016
 78,-0.00001952,0.00003399,0.00001264,0.00005085,-0.00089676,0.00034681
 ,0.00002081,0.00207625,-0.00286848,0.00041609,0.00013689,-0.00008901,0
 .00004006,-0.02398252,-0.00350726,0.00235498,-0.29329407,0.07811817,0.
 00279416,-0.00009466,-0.00000248,0.00000351,0.00000941,-0.00002946,0.0
 0000537,0.00007016,-0.00010090,-0.00002273,-0.00574456,0.00351311,-0.0
 0023116,0.32394158,0.00004875,0.00006978,-0.00001697,-0.00018860,0.000
 62976,-0.00007228,0.00010210,0.00003995,-0.00001662,-0.00003419,0.0000
 9286,-0.00002223,-0.00007506,-0.00004146,0.00001198,-0.00000658,-0.000
 09346,0.00002235,0.00017777,-0.00048032,0.00007009,0.00001875,0.000000
 55,-0.00000247,-0.00000198,-0.00000053,-0.00000049,-0.00001715,0.00002
 607,-0.00000517,0.00000422,0.00000152,0.00000435,-0.00000467,0.0000002
 6,-0.00000327,-0.00000702,0.00000265,0.00000597,-0.00000110,-0.0000003
 5,-0.00000021,-0.00000034,-0.00000095,0.00000091,0.,-0.00000114,0.0000
 0218,-0.00000023,0.00000028,-0.00000030,0.00000285,-0.00000058,-0.0000
 0116,0.00000336,-0.00000355,-0.00000669,-0.00000187,0.00000346,0.00000
 516,-0.00153207,0.00034870,0.00009727,-0.00120458,-0.00464760,0.001024
 18,0.00038048,-0.00113922,0.00026559,-0.04120940,0.00191096,0.00263561
 ,0.09144346,-0.07396707,-0.00228998,-0.00012716,-0.00000066,0.00000003
 ,0.00003398,-0.00002731,0.00000414,0.00037848,0.00078708,-0.00026076,0
 .00998188,-0.00211449,-0.00166236,-0.07753397,0.08300518,-0.00000374,-
 0.00001024,-0.00000406,0.00003435,-0.00008926,0.00017404,-0.00002421,-
 0.00001249,-0.00002043,0.00000918,-0.00001791,0.00001277,0.00001537,0.
 00000617,-0.00000397,0.00000758,0.00002400,0.00002149,-0.00003266,0.00
 010708,-0.00003354,-0.00000321,-0.00000044,-0.00000503,0.00000130,-0.0
 0000129,-0.00000364,0.00000180,-0.00000649,-0.00000704,-0.00000377,0.0
 0000119,-0.00000113,0.00000359,-0.00000034,0.00000187,-0.00000559,-0.0
 0000394,0.00000168,0.00000062,-0.00000018,0.00000012,-0.00000036,0.000
 00026,0.00000037,0.00000112,0.00000037,-0.00000128,-0.00000066,-0.0000
 0048,0.00000037,0.00000523,0.00000342,-0.00000096,0.00000376,0.0000006
 4,-0.00000098,-0.00000161,-0.00000064,-0.00000364,0.00036345,-0.000034
 89,0.00027047,0.00010533,0.00113693,0.00026660,-0.00004701,0.00029902,
 0.00042113,0.00924032,-0.00001208,-0.00016088,0.00036517,-0.00135433,-
 0.05101972,0.00002639,-0.00000871,-0.00005021,-0.00000635,0.00000841,0
 .00000651,-0.00011011,-0.00022796,-0.00045420,-0.02737949,0.00855068,0
 .00221914,-0.00536620,-0.00113691,0.04742031,-0.00020370,0.00053581,-0
 .00008024,-0.00070635,0.00017753,0.00060875,0.00020812,-0.00009374,-0.
 00007540,0.00000185,0.00026053,-0.00003063,-0.00024597,-0.00013014,0.0
 0002055,0.00026193,-0.00022165,-0.00000492,0.00073785,-0.00028525,0.00
 014611,0.00000881,0.00000067,0.00000603,0.00000140,-0.00000550,0.00000
 177,-0.00000350,0.00001238,-0.00000757,-0.00000894,0.00001272,-0.00000
 015,0.00001178,-0.00000326,0.00000486,-0.00002362,-0.00001807,0.000000
 12,0.00000233,-0.00000199,0.00000056,-0.00000250,-0.00000088,0.0000025
 7,0.00000422,-0.00000089,-0.00000408,-0.00000228,-0.00000016,0.0000003
 3,0.00002063,0.00001463,0.00000014,0.00001763,0.00000293,0.00000379,-0
 .00001048,0.00000054,-0.00001527,-0.00092504,-0.00045820,0.00071325,0.
 00482275,-0.00145991,-0.00186221,0.00039965,0.00111578,-0.00026454,-0.
 00176860,-0.02067710,-0.01312650,-0.05894280,0.03083219,0.03311254,-0.
 00000537,-0.00001272,-0.00004738,0.00002178,0.00008826,-0.00010558,-0.
 00152133,-0.00026907,-0.00127303,0.00206296,-0.00514120,-0.00781578,-0
 .00219468,0.01936991,0.02280041,0.05798147,-0.00041682,0.00015966,-0.0
 0003309,0.00012849,0.00031996,-0.00009137,0.00025850,0.00000649,-0.000
 03172,-0.00013461,0.00017860,-0.00007443,-0.00010196,-0.00009623,0.000
 04361,-0.00006046,-0.00007763,0.00003308,0.00045225,-0.00002295,0.0001
 6882,-0.00000240,-0.00002145,-0.00000502,-0.00002076,0.00001319,-0.000
 00283,0.00000454,0.00001473,-0.00002392,0.00005129,-0.00003217,0.00001
 811,-0.00005306,0.00000082,-0.00002961,0.00009569,0.00009578,0.0000176
 4,-0.00000743,0.00000511,-0.00000340,0.00000568,-0.00000134,-0.0000013
 7,-0.00001689,-0.00000566,0.00002280,0.00000855,0.00000333,-0.00000659
 ,-0.00009622,-0.00007085,-0.00000470,-0.00005875,-0.00002471,-0.000021
 59,0.00003999,0.00002150,0.00006585,-0.00111454,-0.00048530,0.00059304
 ,0.00699903,0.00005836,-0.00067633,-0.00080301,0.00053286,0.00028077,-
 0.01028259,-0.03456057,-0.01526121,0.02711847,-0.15351666,-0.11889621,
 -0.00005361,-0.00003282,-0.00003914,0.00006985,0.00013823,-0.00017322,
 0.00000747,0.00046517,-0.00013374,-0.00082156,0.01000852,0.00774362,0.
 00244904,-0.00440037,-0.00721962,-0.02364417,0.18132641,0.00003228,-0.
 00010166,-0.00002316,0.00018017,0.00054154,-0.00022854,0.00006636,0.00
 007910,0.00001524,-0.00005449,0.00001583,-0.00001814,0.00002225,-0.000
 02087,0.00001718,-0.00008107,-0.00001723,0.00005332,0.00002628,0.00005
 509,-0.00006206,0.00001699,0.00000089,-0.00001020,0.00000077,-0.000000
 54,-0.00000321,-0.00002574,0.00002561,-0.00002756,0.00000755,-0.000000
 07,0.00000796,-0.00000905,0.00000159,-0.00000648,-0.00000013,-0.000002
 20,-0.00002056,-0.00000206,-0.00000028,-0.00000087,-0.00000046,-0.0000
 0096,0.00000086,-0.00000085,-0.00000196,0.00000361,0.00000051,0.000000
 88,0.00000141,-0.00000287,0.00000037,0.00000762,-0.00000557,0.00000154
 ,0.00001423,0.00000258,-0.00000010,-0.00000400,-0.00021736,0.00000546,
 -0.00033696,0.00049709,0.00011520,0.00095640,-0.00014944,-0.00137252,0
 .00004404,-0.00332122,0.00588160,0.01174363,0.03015843,-0.12237180,-0.
 18983722,-0.00000772,0.00000801,0.00002156,0.00003016,0.00004306,0.000
 01372,-0.00003241,0.00067019,-0.00009011,0.00565696,-0.01864565,-0.019
 93267,-0.00007942,0.00134808,0.00095383,-0.03270851,0.13374180,0.19674
 711\\0.00000274,-0.00000399,0.00000146,0.00000603,-0.00000058,-0.00000
 067,-0.00000632,-0.00000358,-0.00000324,-0.00000459,0.00000978,0.00000
 092,0.00000424,-0.00000080,-0.00000195,-0.00000688,-0.00000006,0.00000
 055,-0.00000697,0.00000367,0.00000061,0.00000007,0.00000124,0.00000116
 ,-0.00000102,-0.00000074,0.00000122,0.00000170,-0.00000087,0.00000059,
 0.00001642,0.00000378,-0.00001376,0.00000838,0.00000027,0.00001531,-0.
 00003595,-0.00000898,0.00003125,-0.00000053,-0.00000228,0.00000229,-0.
 00000577,0.00000066,-0.00000326,-0.00000072,-0.00000125,0.00000512,-0.
 00000376,0.00000051,0.00000097,0.00002114,0.00000985,-0.00000818,0.000
 01245,-0.00000411,-0.00002731,0.00000033,-0.00000085,0.00000321,-0.000
 00193,0.00000643,-0.00000270,0.00001627,-0.00001281,-0.00000425,-0.000
 02227,0.00001019,0.00000067,-0.00001793,-0.00001784,0.00001162,0.00003
 232,0.00003167,-0.00001263,0.00000123,-0.00000002,-0.00000045,-0.00000
 009,-0.00000105,-0.00000076,-0.00000785,-0.00000403,0.00000114,-0.0000
 0063,-0.00000558,0.00000290,-0.00000123,-0.00000149,-0.00000126,0.0000
 0112,-0.00000715,-0.00000056\\\@


 IF NO USE IS MADE OF THE LABOR OF PAST AGES,
 THE WORLD MUST REMAIN ALWAYS IN THE INFANCY OF KNOWLEDGE.

                          -- CICERO
 Job cpu time:       0 days  8 hours 26 minutes 25.7 seconds.
 Elapsed time:       0 days  1 hours  3 minutes 28.2 seconds.
 File lengths (MBytes):  RWF=    649 Int=      0 D2E=      0 Chk=     26 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 23:39:45 2021.
